data_2n90_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 2n90 _Structure_validation_residue.Date_analyzed 2016-11-04 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 ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.82 -56.71 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.8 -54.55 36.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.63 -51.54 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -52.18 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.17 -48.43 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.18 49.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.52 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.81 -41.41 86.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.54 -44.62 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.99 -33.55 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.2 m -70.51 -37.35 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 m -67.65 -50.25 58.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.16 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.57 -45.3 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.34 -39.17 78.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 t -55.2 -47.43 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.31 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.82 -56.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.58 35.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.68 -51.28 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.68 -53.0 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.04 -48.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.14 -53.29 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.36 80.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.31 -43.46 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.86 -41.66 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.3 -44.41 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.1 -33.52 73.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -68.01 -36.48 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.7 m -70.72 -49.21 49.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.05 -35.14 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.41 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.51 -57.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.49 -53.93 41.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.4 -52.05 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.71 -51.96 52.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -51.24 -48.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.48 -54.25 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.56 77.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.49 -42.95 88.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.63 -42.13 91.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.81 -46.62 81.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.8 -27.57 63.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -75.27 -35.25 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.7 m -72.2 -46.13 57.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.67 -50.54 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.44 -42.23 86.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.36 -49.67 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.16 -56.52 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.885 0.374 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.41 87.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.31 -56.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.79 -53.89 41.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.5 -52.13 56.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.98 52.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.12 -48.46 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.086 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.28 -53.09 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.47 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.5 m -58.12 -43.98 87.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.6 -40.97 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.0 -47.36 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.28 -28.05 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.8 m -74.83 -34.15 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -73.1 -45.49 56.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.54 -51.72 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -34.07 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.94 -56.75 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.15 54.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.08 -52.77 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 -51.48 55.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.05 -48.34 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.24 -53.81 54.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.44 78.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.84 -41.72 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.0 -41.79 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -57.07 -47.27 81.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.4 -26.85 62.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -75.53 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 m -72.8 -45.81 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.7 -51.71 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.13 -40.56 85.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.8 -52.58 63.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -53.86 -56.74 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.883 0.373 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.82 -33.85 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.03 -57.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.99 -52.29 53.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.78 -52.38 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.57 -52.11 49.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 80.8 t -50.92 -48.32 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.15 -53.54 57.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.54 80.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.2 m -58.01 -44.16 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.46 -41.13 93.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -56.98 -46.62 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -27.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 49.0 m -75.17 -34.64 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.2 m -72.74 -45.62 57.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.59 -52.11 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.888 0.375 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.04 77.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.29 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.66 -51.93 56.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.8 -52.77 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.48 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -51.13 -48.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.35 -53.98 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.79 -42.16 88.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.55 -42.1 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -56.94 -46.6 81.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.45 -27.25 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -75.25 -34.65 61.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -73.15 -46.07 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.43 -50.95 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.78 -49.31 78.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.09 -56.18 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.44 -57.42 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.9 55.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 9.9 mt -51.87 -52.1 52.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.94 52.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 57.4 t -51.2 -48.08 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.33 -53.49 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.27 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.09 -44.19 87.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.53 -41.24 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.89 -45.52 82.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.59 -28.4 63.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -75.07 -33.82 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 68.1 m -73.06 -46.19 53.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.53 -51.1 66.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.86 0.362 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.1 t -65.36 -57.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.65 -54.1 40.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -53.39 -52.33 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.13 50.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.91 -48.53 28.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.92 -53.57 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -58.16 -42.61 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.23 -42.32 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -56.2 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.56 -30.08 69.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -72.59 -38.51 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -67.89 -48.08 67.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.88 -49.99 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.63 -40.73 79.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.37 -37.48 85.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.82 -54.89 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.936 0.398 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.69 -36.34 78.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.71 -58.27 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.94 -53.42 45.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -52.25 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.22 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.4 t -50.89 -48.13 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.2 -52.85 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.74 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.1 m -57.86 -43.81 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.06 -40.78 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.74 -49.45 75.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.69 -30.49 70.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.3 m -72.16 -38.43 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 82.1 m -68.0 -49.65 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.35 -51.7 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.778 0.323 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -38.19 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.61 -57.3 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.74 -52.65 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.5 -52.87 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.91 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -50.83 -48.72 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.54 -53.5 57.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.61 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -58.34 -42.05 86.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -41.61 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.75 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -66.25 -31.89 72.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.8 m -68.79 -41.45 78.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -66.77 -54.09 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.82 -48.22 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.58 -46.17 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.73 -31.14 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.67 -52.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.84 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.88 -57.17 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.09 -52.21 54.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.43 -52.53 61.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.38 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -50.71 -48.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.51 -52.67 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.03 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.8 m -57.5 -43.21 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.65 -40.94 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.53 -50.53 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.48 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.5 m -65.52 -40.66 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -65.16 -54.66 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.212 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.5 mt -52.03 -51.14 59.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.818 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.87 0.366 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.05 -57.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -53.98 41.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -52.08 -52.62 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.4 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -51.12 -48.28 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.56 -54.07 51.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.12 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -58.77 -42.7 89.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.16 -41.87 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.71 -49.21 75.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.22 -29.02 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 m -72.72 -38.77 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.5 m -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.28 -50.94 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.01 -50.19 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.79 -45.29 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.11 -51.93 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.29 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.08 -57.32 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.69 -53.95 41.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mt -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.68 46.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.93 -47.99 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.64 -53.79 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.22 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -58.24 -45.0 88.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.69 -41.14 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.76 -47.45 80.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.21 -29.09 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.3 m -73.11 -38.19 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 56.3 m -69.12 -48.54 62.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.03 -52.21 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.858 0.361 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.97 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.21 -57.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.6 -54.85 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -52.7 -48.96 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -51.55 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -50.65 -48.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -50.57 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.99 99.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -56.73 -39.52 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.65 -46.09 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.0 -42.53 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.18 -31.65 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.9 m -73.89 -33.52 64.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -70.85 -46.66 62.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.15 -50.61 69.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.06 -40.61 81.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.33 -51.75 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.53 -57.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.851 0.358 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.17 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.47 -57.68 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.01 32.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.02 -46.47 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.34 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.53 -52.63 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -55.6 -55.11 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.05 -40.29 73.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.13 -44.27 83.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.49 -39.97 94.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -58.58 -45.08 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -27.63 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 65.9 m -76.28 -34.91 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.1 m -71.75 -47.68 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.07 -49.91 70.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.31 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.07 -57.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.31 -54.44 37.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -52.7 -52.1 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.1 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.14 -48.49 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.2 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.32 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -58.84 -41.95 88.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.62 -42.15 87.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.5 -45.25 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -32.74 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -71.84 -37.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 m -66.67 -49.01 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.44 -37.07 86.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.7 -39.85 84.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 t -55.18 -48.02 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.3 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.11 78.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.93 -56.47 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.96 41.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.58 -51.47 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.83 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.0 -48.41 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.23 -53.58 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.37 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.16 -44.08 87.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.39 -41.37 93.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.03 -45.49 83.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.98 -32.45 72.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 68.9 m -71.14 -35.56 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 59.4 m -69.98 -48.55 57.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.34 -34.14 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -36.18 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.2 -57.5 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -54.03 40.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.33 -52.6 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.74 -51.62 54.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -50.99 -48.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.88 -54.08 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.7 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.26 -42.82 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.98 -42.32 89.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -57.68 -46.68 83.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -31.7 72.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -72.26 -39.63 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -65.41 -47.18 77.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.67 -36.07 81.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -61.64 -43.72 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.43 -39.59 77.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 t -55.82 -48.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.38 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.18 -56.79 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.17 -54.39 38.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mt -53.19 -51.43 62.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.32 -52.39 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.92 -48.38 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.98 -53.59 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.77 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.0 m -57.72 -43.73 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.84 -41.58 91.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.18 -48.44 76.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 69.6 m -71.58 -36.85 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 30.1 m -68.64 -46.68 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.88 -34.64 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -126.31 117.28 22.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -141.45 170.12 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.79 -177.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -167.36 76.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.74 159.75 30.23 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.558 0.694 . . . . 0.0 111.139 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 138.39 37.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -155.3 103.59 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.97 88.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.4 t -71.62 -56.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -51.66 -33.18 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.8 t -72.39 -53.14 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -64.82 -56.71 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.8 -54.55 36.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.63 -51.54 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -52.18 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.17 -48.43 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.18 49.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.52 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.81 -41.41 86.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -57.54 -44.62 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.99 -33.55 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.2 m -70.51 -37.35 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 m -67.65 -50.25 58.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.16 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.57 -45.3 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.34 -39.17 78.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 t -55.2 -47.43 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.4 -48.79 63.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -54.67 -50.55 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -70.06 -37.66 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.49 34.41 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.92 116.17 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -72.51 142.45 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -95.74 122.91 39.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.22 175.72 8.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.368 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -126.79 116.82 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -141.75 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.08 177.43 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -171.03 73.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.81 159.52 29.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.632 0.729 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 137.19 34.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -155.3 102.33 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.54 86.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 45.4 t -74.28 -63.6 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.104 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 6.1 t -52.9 -33.29 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 72.4 t -72.58 -53.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.31 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.82 -56.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.58 35.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.68 -51.28 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.68 -53.0 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.04 -48.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.14 -53.29 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.36 80.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.31 -43.46 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.86 -41.66 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.3 -44.41 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.1 -33.52 73.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -68.01 -36.48 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.7 m -70.72 -49.21 49.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.05 -35.14 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.74 -38.63 80.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.45 -53.72 32.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 6.4 p -58.39 -45.45 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.72 -44.18 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -52.55 -46.11 66.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.13 -42.64 88.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 51.97 38.54 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.29 118.35 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -71.09 144.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -94.24 123.05 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.11 176.1 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -95.9 -41.53 8.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -101.42 137.59 39.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.65 179.49 3.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.76 159.49 37.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.8 26.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.22 16.31 24.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.15 54.14 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.0 t -51.73 -41.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 t -53.61 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.1 -52.3 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.41 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.51 -57.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.49 -53.93 41.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.4 -52.05 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.71 -51.96 52.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -51.24 -48.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.48 -54.25 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.56 77.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.49 -42.95 88.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.63 -42.13 91.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.81 -46.62 81.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.8 -27.57 63.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -75.27 -35.25 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.7 m -72.2 -46.13 57.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.67 -50.54 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.44 -42.23 86.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.36 -49.67 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.1 t -58.16 -56.52 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.9 -52.79 47.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.77 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -62.46 -32.25 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.06 102.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.76 -55.04 27.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -99.24 135.68 40.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -70.4 127.39 32.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -154.85 153.24 30.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 9.1 ttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -95.85 -41.82 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -101.46 136.66 40.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.93 178.54 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -67.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.43 159.66 47.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 164.82 33.07 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -110.91 18.19 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.34 46.88 3.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 32.4 t -60.16 -33.0 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.61 -33.72 34.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.57 -56.71 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.41 87.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.31 -56.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.79 -53.89 41.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.5 mt -52.5 -52.13 56.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.98 52.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.12 -48.46 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.086 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.28 -53.09 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.47 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.5 m -58.12 -43.98 87.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.6 -40.97 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.0 -47.36 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.28 -28.05 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.8 m -74.83 -34.15 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -73.1 -45.49 56.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.54 -51.72 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.32 -41.15 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.62 -49.74 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.59 -56.82 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.93 -53.66 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.56 -47.38 79.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -61.3 -34.51 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -162.94 101.26 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -55.1 -55.79 26.43 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -100.42 136.39 40.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -70.07 127.05 31.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -155.17 153.51 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -112.31 -38.79 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -82.16 108.29 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.3 131.75 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -107.31 -25.98 11.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -108.16 96.37 18.07 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 151.91 69.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -178.25 114.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.12 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.541 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.72 -41.11 84.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 p -52.81 -31.53 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.84 -54.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -34.07 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.94 -56.75 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.15 54.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.08 -52.77 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 -51.48 55.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.05 -48.34 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.24 -53.81 54.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.44 78.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.84 -41.72 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.0 -41.79 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -57.07 -47.27 81.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.4 -26.85 62.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -75.53 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 m -72.8 -45.81 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.7 -51.71 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.13 -40.56 85.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.8 -52.58 63.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.7 t -53.86 -56.74 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.02 -38.49 57.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -64.3 -41.43 96.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.16 -30.65 62.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.16 40.75 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.96 -131.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.577 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -99.74 153.3 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -74.15 159.32 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -103.07 138.77 39.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.845 0.355 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -112.41 -38.88 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -82.48 106.56 14.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 132.2 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -106.91 -28.33 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -110.88 82.24 2.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.152 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 149.94 66.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.595 2.197 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.07 114.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.11 29.61 16.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.83 -41.69 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 21.0 p -53.74 -31.93 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 75.1 t -67.74 -53.64 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.82 -33.85 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.03 -57.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.99 -52.29 53.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.78 -52.38 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.57 -52.11 49.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 80.8 t -50.92 -48.32 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.15 -53.54 57.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.54 80.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.2 m -58.01 -44.16 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.46 -41.13 93.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -56.98 -46.62 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -27.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 49.0 m -75.17 -34.64 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.2 m -72.74 -45.62 57.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.59 -52.11 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 23.3 mt -59.17 -40.06 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.0 -52.49 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 90.4 t -53.95 -56.73 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.21 -38.26 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -64.3 -41.38 96.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -74.28 -30.67 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 60.22 40.79 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -155.88 -131.81 1.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -99.93 153.37 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -74.22 159.42 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -103.0 138.82 39.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 32.6 tttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -118.88 120.53 37.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -99.38 -27.19 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.06 130.77 36.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.14 -29.52 20.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.44 96.32 49.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 157.59 59.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.99 -29.33 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.27 61.18 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.465 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.74 -55.91 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -53.54 -31.1 44.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -68.93 -53.34 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.04 77.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.29 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.66 -51.93 56.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.8 -52.77 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.48 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.9 t -51.13 -48.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.35 -53.98 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.79 -42.16 88.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.55 -42.1 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -56.94 -46.6 81.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.45 -27.25 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -75.25 -34.65 61.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -73.15 -46.07 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.43 -50.95 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.78 -49.31 78.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.09 -56.18 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.92 -35.69 46.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -68.99 -38.75 79.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -73.97 -26.06 60.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.58 48.89 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.41 127.24 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -88.48 151.77 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -121.72 121.99 38.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -114.18 -32.85 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 71.4 mmm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -118.92 120.23 36.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -99.49 -26.86 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.07 130.73 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.19 -28.69 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.79 82.12 26.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.701 . . . . 0.0 111.092 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 157.97 58.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -89.51 -28.59 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.46 59.87 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.8 t -67.06 -54.91 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.5 t -52.64 -30.08 29.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 72.8 t -67.99 -53.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 70.0 t -67.44 -57.42 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.9 55.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 9.9 mt -51.87 -52.1 52.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.94 52.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 57.4 t -51.2 -48.08 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.33 -53.49 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.55 -38.27 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.09 -44.19 87.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.53 -41.24 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.89 -45.52 82.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.59 -28.4 63.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -75.07 -33.82 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 68.1 m -73.06 -46.19 53.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.53 -51.1 66.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.33 -41.48 89.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.92 -48.95 79.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 99.0 t -57.8 -56.11 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.87 -36.0 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -69.41 -38.86 78.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -74.13 -25.79 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.73 49.04 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.51 127.24 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -88.67 151.93 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -121.66 122.01 38.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -114.18 -32.86 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -151.26 116.07 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.64 115.79 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -142.37 174.78 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -172.93 74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -116.33 133.57 22.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 128.82 16.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.28 . . . . 0.0 112.316 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -157.33 104.91 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.94 107.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.9 t -82.38 -56.69 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.211 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 t -51.54 -34.14 35.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.7 t -73.01 -52.28 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.1 t -65.36 -57.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.65 -54.1 40.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -53.39 -52.33 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.954 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.13 50.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.2 t -50.91 -48.53 28.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.92 -53.57 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -58.16 -42.61 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.23 -42.32 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -56.2 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.56 -30.08 69.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -72.59 -38.51 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.1 m -67.89 -48.08 67.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.88 -49.99 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.63 -40.73 79.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.37 -37.48 85.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -66.82 -54.89 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.99 -32.29 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -75.64 -49.5 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -52.3 -38.08 57.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.87 104.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.93 41.46 2.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -102.04 137.82 39.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.0 mtt85 -126.07 155.15 42.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -115.53 107.82 15.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -151.59 115.07 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.18 112.9 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -143.5 172.44 12.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -174.37 72.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -116.61 133.5 23.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 129.14 17.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -156.87 103.74 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 67.25 103.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 77.6 t -86.29 -61.82 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.9 t -51.89 -32.23 31.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.52 -53.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.69 -36.34 78.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.71 -58.27 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.94 -53.42 45.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -52.25 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.22 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.4 t -50.89 -48.13 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.2 -52.85 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.74 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.1 m -57.86 -43.81 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.06 -40.78 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -56.74 -49.45 75.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.69 -30.49 70.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.3 m -72.16 -38.43 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 82.1 m -68.0 -49.65 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mt -58.35 -51.7 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.03 -41.12 87.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.52 -40.23 95.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.72 -56.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -56.64 -33.21 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -77.88 -54.58 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -55.78 -49.54 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -174.74 106.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.61 33.98 4.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -109.59 139.74 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -125.21 152.06 45.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -117.67 107.99 14.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -103.52 -26.48 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -136.61 108.69 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -148.19 162.48 39.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -167.56 79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -132.27 133.61 23.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 131.31 21.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.376 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -156.71 104.18 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.2 86.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.45 -56.71 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 111.101 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -51.92 -36.1 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.5 t -72.68 -53.46 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -38.19 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.61 -57.3 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.74 -52.65 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.5 -52.87 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.91 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -50.83 -48.72 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.54 -53.5 57.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.61 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -58.34 -42.05 86.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -41.61 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.75 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -66.25 -31.89 72.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.8 m -68.79 -41.45 78.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -66.77 -54.09 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -52.82 -48.22 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.58 -46.17 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.73 -31.14 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.9 t -76.67 -52.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.79 -15.57 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.98 -46.03 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -87.22 -0.33 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.11 44.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.47 55.68 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -83.24 144.26 29.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -124.09 132.14 53.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -114.76 125.22 53.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.9 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -103.02 -27.59 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -137.48 104.85 5.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -150.01 160.05 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -168.78 76.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 86.1 m -133.69 133.59 22.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 111.151 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 131.13 20.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.4 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -156.7 103.26 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.24 84.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -69.67 -60.51 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.213 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -52.1 -35.17 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.8 t -72.61 -54.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.204 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.84 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.88 -57.17 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.09 -52.21 54.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 11.9 mt -54.43 -52.53 61.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.38 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.9 t -50.71 -48.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.51 -52.67 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.03 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.8 m -57.5 -43.21 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.65 -40.94 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.53 -50.53 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.48 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.5 m -65.52 -40.66 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -65.16 -54.66 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.212 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.5 mt -52.03 -51.14 59.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.08 -46.27 88.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.09 -29.39 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 96.9 t -79.87 -49.25 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.35 -13.0 59.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.48 -46.77 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -89.41 8.15 32.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -50.76 -33.29 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.07 3.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -89.94 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -121.57 134.49 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -111.25 126.15 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -113.35 134.31 54.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -90.6 142.87 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -154.82 143.94 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -170.89 83.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.33 159.51 70.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 111.068 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.01 13.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.603 2.202 . . . . 0.0 112.391 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -154.42 103.02 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.98 96.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -77.42 -56.63 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.4 p -52.07 -31.87 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -70.82 -54.27 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.197 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.05 -57.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -53.98 41.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -52.08 -52.62 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.4 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.6 t -51.12 -48.28 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.56 -54.07 51.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.12 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -58.77 -42.7 89.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.16 -41.87 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.71 -49.21 75.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.22 -29.02 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 m -72.72 -38.77 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.5 m -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.28 -50.94 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.01 -50.19 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.79 -45.29 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.11 -51.93 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.94 -35.9 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.48 -37.23 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -75.58 -13.99 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.34 65.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.32 -71.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtp85 -101.99 134.95 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -66.1 136.37 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -89.77 122.1 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.5 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.852 0.358 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -113.79 133.36 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -91.28 139.8 30.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -156.76 140.52 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -171.91 81.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.02 159.72 71.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.9 9.58 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.8 2.333 . . . . 0.0 112.255 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -155.5 102.74 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -76.13 -64.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -52.67 -33.87 49.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.89 -52.41 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.29 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.08 -57.32 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.69 -53.95 41.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.6 mt -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.68 46.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 99.0 t -50.93 -47.99 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.64 -53.79 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.22 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -58.24 -45.0 88.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.69 -41.14 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.76 -47.45 80.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.21 -29.09 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.3 m -73.11 -38.19 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 56.3 m -69.12 -48.54 62.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.03 -52.21 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.59 -47.85 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 14.4 mt -57.75 -46.58 84.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.52 -53.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.82 -27.72 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -73.65 -37.96 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -77.97 -42.87 31.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 40.2 51.36 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.81 -77.2 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -104.04 136.1 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.72 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.43 121.26 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp 53.0 47.82 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -137.25 141.46 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.43 119.14 10.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.57 -26.42 7.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 159.78 71.08 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.599 0.714 . . . . 0.0 111.115 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 135.67 30.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -153.46 102.62 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.06 93.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -82.33 -56.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 m -51.64 -30.96 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.66 -52.52 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.97 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.21 -57.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.6 -54.85 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -52.7 -48.96 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -51.55 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.9 t -50.65 -48.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -50.57 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.99 99.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -56.73 -39.52 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.65 -46.09 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.0 -42.53 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.18 -31.65 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.9 m -73.89 -33.52 64.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -70.85 -46.66 62.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.15 -50.61 69.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.06 -40.61 81.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.33 -51.75 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.0 t -55.53 -57.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.6 mt -52.01 -37.19 52.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.87 -39.36 69.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -69.29 -32.43 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.76 97.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.56 95.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -81.38 127.14 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -118.78 121.95 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -76.5 173.3 11.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 tttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp 52.98 47.75 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -136.98 142.0 42.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -143.12 119.73 11.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.2 -26.33 7.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.03 159.66 71.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.188 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.0 34.47 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -151.05 101.38 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.18 90.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.63 -65.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 13.5 m -52.04 -30.2 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.41 -52.91 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.17 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.47 -57.68 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.01 32.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mt -54.02 -46.47 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.34 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.53 -52.63 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -55.6 -55.11 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.05 -40.29 73.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.13 -44.27 83.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.49 -39.97 94.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -58.58 -45.08 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -27.63 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 65.9 m -76.28 -34.91 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.1 m -71.75 -47.68 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.07 -49.91 70.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.53 -40.37 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.04 -52.04 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 87.6 t -55.42 -57.99 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.0 mt -53.02 -35.54 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.28 -39.79 74.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -69.22 -35.11 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -161.15 94.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 167.17 95.96 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -81.18 126.24 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -120.03 121.84 39.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.54 172.97 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 48.7 tttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -135.49 115.05 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -135.97 153.98 51.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.26 151.99 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -166.06 90.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.72 159.79 3.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.03 18.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -154.9 103.5 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.75 85.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.38 -56.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -51.64 -31.67 26.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.48 -53.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.31 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.07 -57.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.31 -54.44 37.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.2 mt -52.7 -52.1 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.1 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.14 -48.49 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.2 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.32 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -58.84 -41.95 88.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.62 -42.15 87.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -57.5 -45.25 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -32.74 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -71.84 -37.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 m -66.67 -49.01 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mt -64.44 -37.07 86.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.7 -39.85 84.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 t -55.18 -48.02 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.76 -51.01 62.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.43 -32.38 62.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -83.09 -27.43 30.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.52 100.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.08 107.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -91.14 153.9 19.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -112.2 145.46 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.65 134.34 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -136.62 115.83 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -135.57 149.94 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.13 150.0 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -168.72 89.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.79 159.58 5.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 0.0 111.136 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.68 13.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.694 2.262 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -155.16 102.52 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.62 83.28 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.44 -65.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.0 p -53.61 -32.1 49.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.8 -53.08 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.11 78.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.93 -56.47 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.96 41.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.58 -51.47 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.83 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 96.6 t -51.0 -48.41 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.23 -53.58 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.37 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.16 -44.08 87.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.39 -41.37 93.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.03 -45.49 83.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.98 -32.45 72.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 68.9 m -71.14 -35.56 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 59.4 m -69.98 -48.55 57.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.34 -34.14 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.84 -39.26 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.0 -53.12 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 6.5 p -58.24 -45.45 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.07 -51.62 56.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -56.54 -31.75 64.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.75 -26.76 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -157.24 99.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.17 108.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -90.98 154.03 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -111.94 145.66 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.47 134.46 55.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 tttm . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -89.43 147.22 24.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -61.57 -26.34 67.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -118.98 173.12 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -172.16 84.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.52 159.53 30.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.531 0.681 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 134.03 27.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.396 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -152.98 102.34 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.98 96.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 t -81.66 -56.68 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -51.66 -37.67 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.2 t -70.45 -52.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -36.18 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.3 t -65.2 -57.5 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -54.03 40.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -52.33 -52.6 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.74 -51.62 54.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -50.99 -48.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.88 -54.08 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.7 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.26 -42.82 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.98 -42.32 89.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -57.68 -46.68 83.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -31.7 72.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -72.26 -39.63 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -65.41 -47.18 77.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.67 -36.07 81.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -61.64 -43.72 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.43 -39.59 77.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 t -55.82 -48.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 mt -66.92 -47.86 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -54.8 -38.35 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -79.72 -34.96 39.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.24 100.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.49 64.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.69 142.39 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -108.28 173.88 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -144.59 127.61 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 6.4 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -89.39 147.43 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -62.36 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.44 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -173.43 79.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.07 159.71 28.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.56 30.77 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.717 2.278 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -151.84 101.93 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.85 92.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 29.4 t -86.7 -55.51 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 54.8 m -51.79 -34.8 41.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.54 -54.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.38 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.18 -56.79 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.17 -54.39 38.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mt -53.19 -51.43 62.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.32 -52.39 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.92 -48.38 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.98 -53.59 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.77 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.0 m -57.72 -43.73 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.84 -41.58 91.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.18 -48.44 76.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 69.6 m -71.58 -36.85 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 30.1 m -68.64 -46.68 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.88 -34.64 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mt -70.78 -36.48 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.72 -52.84 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 6.5 p -57.48 -45.58 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -48.5 73.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -56.12 -35.39 67.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -76.57 -32.61 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -155.35 98.95 2.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 143.49 62.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.59 142.24 35.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -108.54 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -144.51 127.41 16.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 16' ' ' LEU . 70.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 97.6 t -64.82 -56.71 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.8 -54.55 36.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.7 mt -52.63 -51.54 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -52.18 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 99.4 t -51.17 -48.43 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.18 49.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.52 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.81 -41.41 86.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.69 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -57.54 -44.62 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.99 -33.55 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.2 m -70.51 -37.35 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 m -67.65 -50.25 58.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.69 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.5 mt -63.16 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.57 -45.3 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.34 -39.17 78.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 t -55.2 -47.43 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.64 HG12 HD12 ' B' ' 116' ' ' LEU . 72.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.31 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.7 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.9 t -64.82 -56.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.58 35.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.648 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.7 mt -52.68 -51.28 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.68 -53.0 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.9 t -51.04 -48.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.14 -53.29 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.36 80.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.31 -43.46 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.86 -41.66 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.3 -44.41 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.1 -33.52 73.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -68.01 -36.48 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.7 m -70.72 -49.21 49.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.4 mt -64.05 -35.14 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 16' ' ' LEU . 77.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.41 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 92.8 t -65.51 -57.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.49 -53.93 41.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 12' ' ' VAL . 11.3 mt -52.4 -52.05 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.71 -51.96 52.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 88.6 t -51.24 -48.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.48 -54.25 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.56 77.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.49 -42.95 88.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.63 -42.13 91.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.9 t80 -56.81 -46.62 81.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.8 -27.57 63.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -75.27 -35.25 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 30' ' ' VAL . 57.7 m -72.2 -46.13 57.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.205 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.6 mt -63.67 -50.54 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.44 -42.23 86.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.36 -49.67 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 26' ' ' THR . 99.1 t -58.16 -56.52 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.885 0.374 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.41 87.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.668 ' O ' HG23 ' B' ' 118' ' ' VAL . 95.5 t -66.31 -56.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.79 -53.89 41.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.602 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -52.5 -52.13 56.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.98 52.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 114' ' ' VAL . 88.2 t -51.12 -48.46 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.086 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.28 -53.09 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.47 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.5 m -58.12 -43.98 87.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.6 -40.97 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -57.0 -47.36 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.28 -28.05 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.8 m -74.83 -34.15 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -73.1 -45.49 56.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 7.7 mt -63.54 -51.72 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 84.9 t . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -34.07 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.6 t -66.94 -56.75 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.15 54.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.4 mt -52.08 -52.77 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 -51.48 55.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.5 t -51.05 -48.34 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.24 -53.81 54.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.44 78.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.84 -41.72 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.0 -41.79 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -57.07 -47.27 81.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.4 -26.85 62.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -75.53 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 m -72.8 -45.81 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.726 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.2 mt -63.7 -51.71 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.13 -40.56 85.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.8 -52.58 63.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 26' ' ' THR . 95.7 t -53.86 -56.74 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 116' ' ' LEU . 75.1 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.883 0.373 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.82 -33.85 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.636 ' O ' HG23 ' B' ' 118' ' ' VAL . 84.4 t -66.03 -57.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.99 -52.29 53.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.675 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.0 mt -51.78 -52.38 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.57 -52.11 49.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 114' ' ' VAL . 80.8 t -50.92 -48.32 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.15 -53.54 57.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.54 80.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.2 m -58.01 -44.16 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.46 -41.13 93.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.709 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -56.98 -46.62 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -27.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 49.0 m -75.17 -34.64 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.2 m -72.74 -45.62 57.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.709 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -63.59 -52.11 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 16' ' ' LEU . 69.5 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.888 0.375 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.04 77.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' VAL . 66.6 t -66.29 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.66 -51.93 56.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.3 mt -51.8 -52.77 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.48 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 14' ' ' VAL . 57.9 t -51.13 -48.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.35 -53.98 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.79 -42.16 88.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.55 -42.1 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.94 -46.6 81.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.45 -27.25 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -75.25 -34.65 61.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.7 m -73.15 -46.07 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.0 mt -63.43 -50.95 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.78 -49.31 78.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 26' ' ' THR . 99.6 t -58.09 -56.18 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.487 HG12 HD12 ' B' ' 116' ' ' LEU . 72.8 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 118' ' ' VAL . 70.0 t -67.44 -57.42 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.9 55.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.9 mt -51.87 -52.1 52.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.94 52.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 114' ' ' VAL . 57.4 t -51.2 -48.08 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.33 -53.49 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.4 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.55 -38.27 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.09 -44.19 87.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.53 -41.24 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.89 -45.52 82.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.59 -28.4 63.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -75.07 -33.82 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 68.1 m -73.06 -46.19 53.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.8 mt -63.53 -51.1 66.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG12 HD12 ' A' ' 16' ' ' LEU . 73.7 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.86 0.362 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.1 t -65.36 -57.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.65 -54.1 40.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.3 mt -53.39 -52.33 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.13 50.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.2 t -50.91 -48.53 28.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.92 -53.57 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -58.16 -42.61 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.23 -42.32 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.2 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.56 -30.08 69.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -72.59 -38.51 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.1 m -67.89 -48.08 67.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.7 mt -59.88 -49.99 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.63 -40.73 79.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.37 -37.48 85.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' THR . 92.9 t -66.82 -54.89 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.494 HG12 HD12 ' B' ' 116' ' ' LEU . 66.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.936 0.398 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.69 -36.34 78.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.708 ' O ' HG23 ' B' ' 118' ' ' VAL . 84.4 t -65.71 -58.27 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.94 -53.42 45.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.611 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -54.23 -52.25 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.22 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.4 t -50.89 -48.13 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.2 -52.85 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.74 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.1 m -57.86 -43.81 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.06 -40.78 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.692 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.0 t80 -56.74 -49.45 75.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.69 -30.49 70.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.3 m -72.16 -38.43 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 82.1 m -68.0 -49.65 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -58.35 -51.7 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 16' ' ' LEU . 68.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.778 0.323 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -38.19 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 95.5 t -65.61 -57.3 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.74 -52.65 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -53.5 -52.87 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.91 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 93.9 t -50.83 -48.72 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.8 t80 -57.54 -53.5 57.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.61 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -58.34 -42.05 86.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -41.61 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.75 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 27' ' ' LEU . 2.1 mt -66.25 -31.89 72.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.8 m -68.79 -41.45 78.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.5 m -66.77 -54.09 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD11 ' CE1' ' A' ' 23' ' ' PHE . 5.0 mt -52.82 -48.22 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.58 -46.17 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.73 -31.14 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 89.9 t -76.67 -52.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.707 HG12 HD12 ' B' ' 116' ' ' LEU . 66.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.84 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.709 ' O ' HG23 ' B' ' 118' ' ' VAL . 97.3 t -65.88 -57.17 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.09 -52.21 54.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.707 HD12 HG12 ' B' ' 112' ' ' VAL . 11.9 mt -54.43 -52.53 61.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.38 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.9 t -50.71 -48.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.51 -52.67 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -60.04 -39.03 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.8 m -57.5 -43.21 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.65 -40.94 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -56.53 -50.53 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' B' ' 127' ' ' LEU . 2.2 mt -63.48 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.5 m -65.52 -40.66 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -65.16 -54.66 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.212 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.5 mt -52.03 -51.14 59.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.818 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 80.6 t . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.87 0.366 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.0 t -65.05 -57.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -53.98 41.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.08 -52.62 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.4 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.6 t -51.12 -48.28 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.56 -54.07 51.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.12 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -58.77 -42.7 89.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.16 -41.87 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.71 -49.21 75.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.22 -29.02 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 m -72.72 -38.77 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.5 m -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.3 mt -59.28 -50.94 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.01 -50.19 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.79 -45.29 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 26' ' ' THR . 96.2 t -60.11 -51.93 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.669 HG12 HD12 ' B' ' 116' ' ' LEU . 73.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.29 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.711 ' O ' HG23 ' B' ' 118' ' ' VAL . 91.6 t -65.08 -57.32 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.69 -53.95 41.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.669 HD12 HG12 ' B' ' 112' ' ' VAL . 10.6 mt -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.68 46.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.0 t -50.93 -47.99 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.64 -53.79 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.18 -38.22 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -58.24 -45.0 88.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.69 -41.14 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.76 -47.45 80.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.21 -29.09 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.3 m -73.11 -38.19 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 56.3 m -69.12 -48.54 62.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' B' ' 123' ' ' PHE . 8.8 mt -60.03 -52.21 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.858 0.361 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.97 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.7 t -64.21 -57.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.6 -54.85 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' B' ' 116' ' ' LEU . 14.4 mt -52.7 -48.96 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -51.55 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.9 t -50.65 -48.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -50.57 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.99 99.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -56.73 -39.52 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.65 -46.09 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 27' ' ' LEU . 2.2 t80 -58.0 -42.53 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.18 -31.65 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.9 m -73.89 -33.52 64.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.5 m -70.85 -46.66 62.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.0 mt -63.15 -50.61 69.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.06 -40.61 81.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.33 -51.75 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 26' ' ' THR . 89.0 t -55.53 -57.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.417 HG12 HD12 ' B' ' 116' ' ' LEU . 76.2 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.851 0.358 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.17 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.475 ' O ' HG23 ' B' ' 118' ' ' VAL . 88.7 t -65.47 -57.68 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.01 32.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.643 ' HB3' HD22 ' A' ' 16' ' ' LEU . 5.0 mt -54.02 -46.47 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.34 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.4 t -50.53 -52.63 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -55.6 -55.11 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.05 -40.29 73.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.13 -44.27 83.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.49 -39.97 94.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -58.58 -45.08 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -27.63 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 65.9 m -76.28 -34.91 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.1 m -71.75 -47.68 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.3 mt -64.07 -49.91 70.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG12 HD12 ' A' ' 16' ' ' LEU . 69.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.31 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.7 t -65.07 -57.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.31 -54.44 37.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.7 -52.1 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.1 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 97.5 t -51.14 -48.49 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.2 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.32 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -58.84 -41.95 88.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.62 -42.15 87.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.7 t80 -57.5 -45.25 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -32.74 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -71.84 -37.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 m -66.67 -49.01 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.4 mt -64.44 -37.07 86.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.7 -39.85 84.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 t -55.18 -48.02 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.658 HG12 HD12 ' B' ' 116' ' ' LEU . 69.3 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.11 78.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.712 ' O ' HG23 ' B' ' 118' ' ' VAL . 94.0 t -64.93 -56.47 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.96 41.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.658 HD12 HG12 ' B' ' 112' ' ' VAL . 10.2 mt -53.58 -51.47 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.83 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.6 t -51.0 -48.41 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.23 -53.58 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.37 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.16 -44.08 87.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.39 -41.37 93.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.696 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.03 -45.49 83.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.98 -32.45 72.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 68.9 m -71.14 -35.56 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 59.4 m -69.98 -48.55 57.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.696 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.3 mt -64.34 -34.14 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 16' ' ' LEU . 79.2 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -36.18 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.3 t -65.2 -57.5 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -54.03 40.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 12' ' ' VAL . 12.3 mt -52.33 -52.6 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.74 -51.62 54.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.1 t -50.99 -48.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.6 t80 -57.88 -54.08 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.7 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.26 -42.82 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.98 -42.32 89.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 27' ' ' LEU . 6.1 t80 -57.68 -46.68 83.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -31.7 72.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -72.26 -39.63 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -65.41 -47.18 77.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.6 mt -66.67 -36.07 81.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -61.64 -43.72 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.43 -39.59 77.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 t -55.82 -48.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.456 HG12 HD12 ' B' ' 116' ' ' LEU . 76.7 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.38 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.721 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.2 t -65.18 -56.79 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.17 -54.39 38.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LEU . . . . . 0.634 ' HB3' HD22 ' A' ' 16' ' ' LEU . 10.9 mt -53.19 -51.43 62.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.32 -52.39 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 114' ' ' VAL . 98.6 t -50.92 -48.38 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.98 -53.59 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.34 -38.77 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.0 m -57.72 -43.73 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.84 -41.58 91.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.9 t80 -56.18 -48.44 76.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 69.6 m -71.58 -36.85 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 30.1 m -68.64 -46.68 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.0 mt -65.88 -34.64 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -126.31 117.28 22.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -141.45 170.12 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.79 -177.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -167.36 76.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.74 159.75 30.23 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.558 0.694 . . . . 0.0 111.139 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 138.39 37.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -155.3 103.59 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.97 88.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.4 t -71.62 -56.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -51.66 -33.18 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 16' ' ' LEU . 70.8 t -72.39 -53.14 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 97.6 t -64.82 -56.71 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.8 -54.55 36.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.7 mt -52.63 -51.54 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -52.18 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 99.4 t -51.17 -48.43 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.18 49.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.52 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.81 -41.41 86.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.69 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -57.54 -44.62 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.99 -33.55 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.2 m -70.51 -37.35 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 m -67.65 -50.25 58.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.69 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.5 mt -63.16 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.57 -45.3 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.34 -39.17 78.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 t -55.2 -47.43 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.4 -48.79 63.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -54.67 -50.55 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -70.06 -37.66 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.49 34.41 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.92 116.17 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -72.51 142.45 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -95.74 122.91 39.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.22 175.72 8.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.368 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -126.79 116.82 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -141.75 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.08 177.43 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -171.03 73.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.81 159.52 29.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.632 0.729 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 137.19 34.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -155.3 102.33 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.54 86.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.659 ' O ' HG23 ' B' ' 114' ' ' VAL . 45.4 t -74.28 -63.6 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 6.1 t -52.9 -33.29 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.64 HG12 HD12 ' B' ' 116' ' ' LEU . 72.4 t -72.58 -53.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.31 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.7 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.9 t -64.82 -56.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.58 35.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.648 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.7 mt -52.68 -51.28 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.68 -53.0 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.9 t -51.04 -48.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.14 -53.29 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.36 80.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.31 -43.46 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.86 -41.66 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.3 -44.41 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.1 -33.52 73.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -68.01 -36.48 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.7 m -70.72 -49.21 49.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.4 mt -64.05 -35.14 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.74 -38.63 80.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.45 -53.72 32.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.463 HG13 ' N ' ' B' ' 131' ' ' LEU . 6.4 p -58.39 -45.45 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.463 ' N ' HG13 ' B' ' 130' ' ' VAL . 22.1 mt -66.72 -44.18 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -52.55 -46.11 66.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.13 -42.64 88.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 51.97 38.54 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.29 118.35 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -71.09 144.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -94.24 123.05 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.11 176.1 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -95.9 -41.53 8.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -101.42 137.59 39.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.65 179.49 3.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.76 159.49 37.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.8 26.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.22 16.31 24.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.15 54.14 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.0 t -51.73 -41.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 t -53.61 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 16' ' ' LEU . 77.7 t -69.1 -52.3 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.41 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 92.8 t -65.51 -57.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.49 -53.93 41.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 12' ' ' VAL . 11.3 mt -52.4 -52.05 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.71 -51.96 52.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 88.6 t -51.24 -48.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.48 -54.25 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.56 77.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.49 -42.95 88.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.63 -42.13 91.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.9 t80 -56.81 -46.62 81.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.8 -27.57 63.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -75.27 -35.25 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 30' ' ' VAL . 57.7 m -72.2 -46.13 57.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.205 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.6 mt -63.67 -50.54 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.44 -42.23 86.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.36 -49.67 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 26' ' ' THR . 99.1 t -58.16 -56.52 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.9 -52.79 47.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.77 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -62.46 -32.25 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.06 102.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.76 -55.04 27.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -99.24 135.68 40.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -70.4 127.39 32.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -154.85 153.24 30.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 9.1 ttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -95.85 -41.82 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -101.46 136.66 40.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.93 178.54 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -67.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.43 159.66 47.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 164.82 33.07 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -110.91 18.19 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.34 46.88 3.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.712 HG12 HG23 ' B' ' 114' ' ' VAL . 32.4 t -60.16 -33.0 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.61 -33.72 34.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.57 -56.71 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.41 87.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.712 HG23 HG12 ' B' ' 110' ' ' VAL . 95.5 t -66.31 -56.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.79 -53.89 41.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.602 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -52.5 -52.13 56.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.98 52.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 114' ' ' VAL . 88.2 t -51.12 -48.46 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.086 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.28 -53.09 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.47 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.5 m -58.12 -43.98 87.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.6 -40.97 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -57.0 -47.36 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.28 -28.05 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.8 m -74.83 -34.15 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.696 ' O ' HG23 ' B' ' 130' ' ' VAL . 58.8 m -73.1 -45.49 56.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 7.7 mt -63.54 -51.72 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.32 -41.15 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.62 -49.74 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.696 HG23 ' O ' ' B' ' 126' ' ' THR . 95.4 t -57.59 -56.82 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.93 -53.66 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.56 -47.38 79.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -61.3 -34.51 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -162.94 101.26 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -55.1 -55.79 26.43 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -100.42 136.39 40.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -70.07 127.05 31.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -155.17 153.51 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -112.31 -38.79 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -82.16 108.29 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.3 131.75 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -107.31 -25.98 11.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -108.16 96.37 18.07 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 151.91 69.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -178.25 114.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.12 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.541 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.644 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.7 t -59.72 -41.11 84.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 p -52.81 -31.53 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 84.9 t -66.84 -54.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -34.07 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.6 t -66.94 -56.75 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.15 54.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.4 mt -52.08 -52.77 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 -51.48 55.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.5 t -51.05 -48.34 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.24 -53.81 54.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.44 78.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.84 -41.72 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.0 -41.79 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -57.07 -47.27 81.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.4 -26.85 62.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -75.53 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 m -72.8 -45.81 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.726 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.2 mt -63.7 -51.71 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.13 -40.56 85.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.8 -52.58 63.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 26' ' ' THR . 95.7 t -53.86 -56.74 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.02 -38.49 57.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -64.3 -41.43 96.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.16 -30.65 62.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.16 40.75 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.96 -131.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.577 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -99.74 153.3 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -74.15 159.32 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -103.07 138.77 39.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.845 0.355 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -112.41 -38.88 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -82.48 106.56 14.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 132.2 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -106.91 -28.33 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -110.88 82.24 2.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.152 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 149.94 66.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.595 2.197 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.07 114.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.11 29.61 16.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.689 ' O ' HG23 ' B' ' 114' ' ' VAL . 26.1 t -57.83 -41.69 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 21.0 p -53.74 -31.93 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 116' ' ' LEU . 75.1 t -67.74 -53.64 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.82 -33.85 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 110' ' ' VAL . 84.4 t -66.03 -57.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.99 -52.29 53.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.675 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.0 mt -51.78 -52.38 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.57 -52.11 49.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 114' ' ' VAL . 80.8 t -50.92 -48.32 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.15 -53.54 57.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.54 80.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.2 m -58.01 -44.16 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.46 -41.13 93.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.709 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -56.98 -46.62 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -27.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 49.0 m -75.17 -34.64 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.693 ' O ' HG23 ' B' ' 130' ' ' VAL . 67.2 m -72.74 -45.62 57.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.709 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -63.59 -52.11 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 23.3 mt -59.17 -40.06 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.0 -52.49 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 126' ' ' THR . 90.4 t -53.95 -56.73 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.21 -38.26 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -64.3 -41.38 96.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -74.28 -30.67 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 60.22 40.79 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -155.88 -131.81 1.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -99.93 153.37 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -74.22 159.42 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -103.0 138.82 39.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 32.6 tttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -118.88 120.53 37.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -99.38 -27.19 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.06 130.77 36.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.14 -29.52 20.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -120.44 96.32 49.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 111.181 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 6' ' ' THR . 54.7 Cg_endo -69.73 157.59 59.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.379 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.99 -29.33 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.27 61.18 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.465 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.1 t -65.74 -55.91 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -53.54 -31.1 44.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 16' ' ' LEU . 69.5 t -68.93 -53.34 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.04 77.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 10' ' ' VAL . 66.6 t -66.29 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.66 -51.93 56.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.3 mt -51.8 -52.77 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.48 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 14' ' ' VAL . 57.9 t -51.13 -48.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.35 -53.98 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.79 -42.16 88.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.55 -42.1 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.94 -46.6 81.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.45 -27.25 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -75.25 -34.65 61.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.7 m -73.15 -46.07 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.0 mt -63.43 -50.95 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.78 -49.31 78.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 26' ' ' THR . 99.6 t -58.09 -56.18 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.92 -35.69 46.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -68.99 -38.75 79.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -73.97 -26.06 60.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.58 48.89 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.41 127.24 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -88.48 151.77 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -121.72 121.99 38.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -114.18 -32.85 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 71.4 mmm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -118.92 120.23 36.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -99.49 -26.86 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.07 130.73 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.19 -28.69 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.79 82.12 26.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.701 . . . . 0.0 111.092 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 157.97 58.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -89.51 -28.59 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.46 59.87 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.536 ' O ' HG23 ' B' ' 114' ' ' VAL . 40.8 t -67.06 -54.91 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 111.094 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.5 t -52.64 -30.08 29.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.487 HG12 HD12 ' B' ' 116' ' ' LEU . 72.8 t -67.99 -53.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 118' ' ' VAL . 70.0 t -67.44 -57.42 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.9 55.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.9 mt -51.87 -52.1 52.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.94 52.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 114' ' ' VAL . 57.4 t -51.2 -48.08 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.33 -53.49 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.4 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.55 -38.27 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.09 -44.19 87.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.53 -41.24 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.89 -45.52 82.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.59 -28.4 63.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -75.07 -33.82 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.703 ' O ' HG23 ' B' ' 130' ' ' VAL . 68.1 m -73.06 -46.19 53.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.8 mt -63.53 -51.1 66.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.33 -41.48 89.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.92 -48.95 79.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 126' ' ' THR . 99.0 t -57.8 -56.11 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.87 -36.0 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -69.41 -38.86 78.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -74.13 -25.79 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.73 49.04 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.51 127.24 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -88.67 151.93 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -121.66 122.01 38.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -114.18 -32.86 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -151.26 116.07 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.64 115.79 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -142.37 174.78 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -172.93 74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.437 HG23 ' HD2' ' A' ' 7' ' ' PRO . 86.2 m -116.33 133.57 22.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' HD2' HG23 ' A' ' 6' ' ' THR . 53.6 Cg_endo -69.73 128.82 16.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.28 . . . . 0.0 112.316 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -157.33 104.91 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.94 107.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 14' ' ' VAL . 74.9 t -82.38 -56.69 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.211 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 t -51.54 -34.14 35.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG12 HD12 ' A' ' 16' ' ' LEU . 73.7 t -73.01 -52.28 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.1 t -65.36 -57.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.65 -54.1 40.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.3 mt -53.39 -52.33 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.13 50.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.2 t -50.91 -48.53 28.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.92 -53.57 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -58.16 -42.61 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.23 -42.32 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.2 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.56 -30.08 69.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -72.59 -38.51 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.1 m -67.89 -48.08 67.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.7 mt -59.88 -49.99 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.63 -40.73 79.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.37 -37.48 85.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' THR . 92.9 t -66.82 -54.89 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.99 -32.29 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -75.64 -49.5 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -52.3 -38.08 57.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.87 104.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.93 41.46 2.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -102.04 137.82 39.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.0 mtt85 -126.07 155.15 42.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -115.53 107.82 15.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -151.59 115.07 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.18 112.9 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -143.5 172.44 12.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -174.37 72.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.445 HG23 ' HD2' ' B' ' 107' ' ' PRO . 87.1 m -116.61 133.5 23.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' B' ' 106' ' ' THR . 54.6 Cg_endo -69.67 129.14 17.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -156.87 103.74 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 67.25 103.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.647 ' O ' HG23 ' B' ' 114' ' ' VAL . 77.6 t -86.29 -61.82 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.9 t -51.89 -32.23 31.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.494 HG12 HD12 ' B' ' 116' ' ' LEU . 66.7 t -73.52 -53.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.69 -36.34 78.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.708 ' O ' HG23 ' B' ' 118' ' ' VAL . 84.4 t -65.71 -58.27 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.94 -53.42 45.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.611 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -54.23 -52.25 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.22 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.4 t -50.89 -48.13 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.2 -52.85 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.74 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.1 m -57.86 -43.81 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.06 -40.78 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.692 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.0 t80 -56.74 -49.45 75.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.69 -30.49 70.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.3 m -72.16 -38.43 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.684 ' O ' HG23 ' B' ' 130' ' ' VAL . 82.1 m -68.0 -49.65 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -58.35 -51.7 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.03 -41.12 87.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.52 -40.23 95.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 126' ' ' THR . 97.2 t -69.72 -56.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -56.64 -33.21 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -77.88 -54.58 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -55.78 -49.54 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -174.74 106.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.61 33.98 4.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -109.59 139.74 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -125.21 152.06 45.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -117.67 107.99 14.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -103.52 -26.48 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -136.61 108.69 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -148.19 162.48 39.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -167.56 79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.445 HG23 ' HD2' ' A' ' 7' ' ' PRO . 86.5 m -132.27 133.61 23.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 111.147 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 6' ' ' THR . 53.8 Cg_endo -69.7 131.31 21.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.376 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -156.71 104.18 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.2 86.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 14' ' ' VAL . 55.2 t -66.45 -56.71 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 111.101 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -51.92 -36.1 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 16' ' ' LEU . 68.5 t -72.68 -53.46 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -38.19 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 95.5 t -65.61 -57.3 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.74 -52.65 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -53.5 -52.87 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.91 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 93.9 t -50.83 -48.72 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.8 t80 -57.54 -53.5 57.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.61 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -58.34 -42.05 86.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -41.61 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.75 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 27' ' ' LEU . 2.1 mt -66.25 -31.89 72.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.8 m -68.79 -41.45 78.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.5 m -66.77 -54.09 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD11 ' CE1' ' A' ' 23' ' ' PHE . 5.0 mt -52.82 -48.22 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.58 -46.17 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.73 -31.14 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 89.9 t -76.67 -52.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.79 -15.57 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.98 -46.03 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -87.22 -0.33 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.11 44.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.47 55.68 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -83.24 144.26 29.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -124.09 132.14 53.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -114.76 125.22 53.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.9 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -103.02 -27.59 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -137.48 104.85 5.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -150.01 160.05 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -168.78 76.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.449 HG23 ' HD2' ' B' ' 107' ' ' PRO . 86.1 m -133.69 133.59 22.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' B' ' 106' ' ' THR . 53.9 Cg_endo -69.76 131.13 20.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.4 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -156.7 103.26 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.24 84.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.643 ' O ' HG23 ' B' ' 114' ' ' VAL . 53.0 t -69.67 -60.51 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -52.1 -35.17 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.707 HG12 HD12 ' B' ' 116' ' ' LEU . 66.8 t -72.61 -54.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.204 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.84 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.709 ' O ' HG23 ' B' ' 118' ' ' VAL . 97.3 t -65.88 -57.17 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.09 -52.21 54.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.707 HD12 HG12 ' B' ' 112' ' ' VAL . 11.9 mt -54.43 -52.53 61.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.38 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.9 t -50.71 -48.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.51 -52.67 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -60.04 -39.03 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.8 m -57.5 -43.21 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.65 -40.94 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -56.53 -50.53 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' B' ' 127' ' ' LEU . 2.2 mt -63.48 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.5 m -65.52 -40.66 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.587 ' O ' HG23 ' B' ' 130' ' ' VAL . 58.8 m -65.16 -54.66 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.212 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.5 mt -52.03 -51.14 59.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.08 -46.27 88.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.09 -29.39 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 126' ' ' THR . 96.9 t -79.87 -49.25 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.35 -13.0 59.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.48 -46.77 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -89.41 8.15 32.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 130' ' ' VAL . . . -50.76 -33.29 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.07 3.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -89.94 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -121.57 134.49 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -111.25 126.15 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -113.35 134.31 54.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -90.6 142.87 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -154.82 143.94 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -170.89 83.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.49 ' HG1' ' HE2' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.33 159.51 70.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 111.068 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.01 13.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.603 2.202 . . . . 0.0 112.391 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' HE2' ' HG1' ' A' ' 6' ' ' THR . 24.6 m-85 -154.42 103.02 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.98 96.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 14' ' ' VAL . 59.0 t -77.42 -56.63 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.4 p -52.07 -31.87 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 80.6 t -70.82 -54.27 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.197 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.0 t -65.05 -57.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -53.98 41.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.08 -52.62 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.4 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.6 t -51.12 -48.28 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.56 -54.07 51.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.12 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -58.77 -42.7 89.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.16 -41.87 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.71 -49.21 75.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.22 -29.02 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 m -72.72 -38.77 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.5 m -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.3 mt -59.28 -50.94 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.01 -50.19 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.79 -45.29 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 26' ' ' THR . 96.2 t -60.11 -51.93 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.94 -35.9 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.48 -37.23 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -75.58 -13.99 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.34 65.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.32 -71.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtp85 -101.99 134.95 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -66.1 136.37 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -89.77 122.1 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.5 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.852 0.358 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -113.79 133.36 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -91.28 139.8 30.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -156.76 140.52 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -171.91 81.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.02 159.72 71.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.9 9.58 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.8 2.333 . . . . 0.0 112.255 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -155.5 102.74 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.656 ' O ' HG23 ' B' ' 114' ' ' VAL . 58.4 t -76.13 -64.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -52.67 -33.87 49.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.669 HG12 HD12 ' B' ' 116' ' ' LEU . 73.8 t -72.89 -52.41 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.29 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.711 ' O ' HG23 ' B' ' 118' ' ' VAL . 91.6 t -65.08 -57.32 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.69 -53.95 41.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.669 HD12 HG12 ' B' ' 112' ' ' VAL . 10.6 mt -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.68 46.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.0 t -50.93 -47.99 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.64 -53.79 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.18 -38.22 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -58.24 -45.0 88.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.69 -41.14 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.76 -47.45 80.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.21 -29.09 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.3 m -73.11 -38.19 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.607 ' O ' HG23 ' B' ' 130' ' ' VAL . 56.3 m -69.12 -48.54 62.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' B' ' 123' ' ' PHE . 8.8 mt -60.03 -52.21 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.59 -47.85 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 14.4 mt -57.75 -46.58 84.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 126' ' ' THR . 84.2 t -61.52 -53.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.82 -27.72 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -73.65 -37.96 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -77.97 -42.87 31.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 40.2 51.36 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.81 -77.2 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -104.04 136.1 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.72 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.43 121.26 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp 53.0 47.82 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -137.25 141.46 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.43 119.14 10.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.57 -26.42 7.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 159.78 71.08 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.599 0.714 . . . . 0.0 111.115 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 135.67 30.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -153.46 102.62 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.06 93.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 14' ' ' VAL . 57.5 t -82.33 -56.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 m -51.64 -30.96 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.66 -52.52 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.97 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.7 t -64.21 -57.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.6 -54.85 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' B' ' 116' ' ' LEU . 14.4 mt -52.7 -48.96 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -51.55 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.9 t -50.65 -48.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -50.57 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.99 99.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -56.73 -39.52 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.65 -46.09 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 27' ' ' LEU . 2.2 t80 -58.0 -42.53 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.18 -31.65 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.9 m -73.89 -33.52 64.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.5 m -70.85 -46.66 62.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.0 mt -63.15 -50.61 69.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.06 -40.61 81.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.33 -51.75 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 26' ' ' THR . 89.0 t -55.53 -57.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.6 mt -52.01 -37.19 52.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.87 -39.36 69.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -69.29 -32.43 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.76 97.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.56 95.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -81.38 127.14 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -118.78 121.95 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -76.5 173.3 11.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 tttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp 52.98 47.75 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -136.98 142.0 42.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -143.12 119.73 11.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.2 -26.33 7.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.03 159.66 71.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.188 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.0 34.47 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -151.05 101.38 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.18 90.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.636 ' O ' HG23 ' B' ' 114' ' ' VAL . 58.2 t -85.63 -65.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 13.5 m -52.04 -30.2 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.417 HG12 HD12 ' B' ' 116' ' ' LEU . 76.2 t -71.41 -52.91 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.17 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 110' ' ' VAL . 88.7 t -65.47 -57.68 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.01 32.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.643 ' HB3' HD22 ' A' ' 16' ' ' LEU . 5.0 mt -54.02 -46.47 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.34 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.4 t -50.53 -52.63 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -55.6 -55.11 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.05 -40.29 73.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.13 -44.27 83.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.49 -39.97 94.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -58.58 -45.08 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -27.63 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 65.9 m -76.28 -34.91 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' THR . . . . . 0.666 ' O ' HG23 ' B' ' 130' ' ' VAL . 26.1 m -71.75 -47.68 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.3 mt -64.07 -49.91 70.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.53 -40.37 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.04 -52.04 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 126' ' ' THR . 87.6 t -55.42 -57.99 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.0 mt -53.02 -35.54 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.28 -39.79 74.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -69.22 -35.11 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -161.15 94.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 167.17 95.96 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -81.18 126.24 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -120.03 121.84 39.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.54 172.97 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 48.7 tttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -135.49 115.05 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -135.97 153.98 51.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.26 151.99 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -166.06 90.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.467 ' HG1' ' HE2' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -54.72 159.79 3.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.03 18.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.467 ' HE2' ' HG1' ' A' ' 6' ' ' THR . 25.2 m-85 -154.9 103.5 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.75 85.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.6 t -67.38 -56.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -51.64 -31.67 26.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG12 HD12 ' A' ' 16' ' ' LEU . 69.2 t -73.48 -53.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.31 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.7 t -65.07 -57.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.31 -54.44 37.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.7 -52.1 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.1 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 97.5 t -51.14 -48.49 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.2 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.32 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -58.84 -41.95 88.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.62 -42.15 87.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.7 t80 -57.5 -45.25 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -32.74 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -71.84 -37.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 m -66.67 -49.01 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.4 mt -64.44 -37.07 86.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.7 -39.85 84.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 t -55.18 -48.02 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.76 -51.01 62.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.43 -32.38 62.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -83.09 -27.43 30.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.52 100.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.08 107.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -91.14 153.9 19.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -112.2 145.46 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.65 134.34 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -136.62 115.83 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -135.57 149.94 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.13 150.0 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -168.72 89.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.79 159.58 5.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 0.0 111.136 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.68 13.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.694 2.262 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -155.16 102.52 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.62 83.28 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 114' ' ' VAL . 40.4 t -68.44 -65.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.0 p -53.61 -32.1 49.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.658 HG12 HD12 ' B' ' 116' ' ' LEU . 69.3 t -73.8 -53.08 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.11 78.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.712 ' O ' HG23 ' B' ' 118' ' ' VAL . 94.0 t -64.93 -56.47 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.96 41.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.658 HD12 HG12 ' B' ' 112' ' ' VAL . 10.2 mt -53.58 -51.47 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.83 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.6 t -51.0 -48.41 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.23 -53.58 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.37 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.16 -44.08 87.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.39 -41.37 93.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.696 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.03 -45.49 83.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.98 -32.45 72.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 68.9 m -71.14 -35.56 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 59.4 m -69.98 -48.55 57.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.696 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.3 mt -64.34 -34.14 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.84 -39.26 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.0 -53.12 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.46 HG13 ' N ' ' B' ' 131' ' ' LEU . 6.5 p -58.24 -45.45 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.46 ' N ' HG13 ' B' ' 130' ' ' VAL . 24.5 mt -66.07 -51.62 56.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -56.54 -31.75 64.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.75 -26.76 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -157.24 99.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.17 108.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -90.98 154.03 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -111.94 145.66 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.47 134.46 55.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 tttm . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -89.43 147.22 24.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -61.57 -26.34 67.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -118.98 173.12 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -172.16 84.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.52 159.53 30.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.531 0.681 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 134.03 27.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.396 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -152.98 102.34 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.98 96.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.5 t -81.66 -56.68 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.1 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -51.66 -37.67 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 16' ' ' LEU . 79.2 t -70.45 -52.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -36.18 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.3 t -65.2 -57.5 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -54.03 40.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 12' ' ' VAL . 12.3 mt -52.33 -52.6 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.74 -51.62 54.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.1 t -50.99 -48.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.6 t80 -57.88 -54.08 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.7 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.26 -42.82 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.98 -42.32 89.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 27' ' ' LEU . 6.1 t80 -57.68 -46.68 83.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -31.7 72.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -72.26 -39.63 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -65.41 -47.18 77.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.6 mt -66.67 -36.07 81.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -61.64 -43.72 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.43 -39.59 77.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 t -55.82 -48.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 mt -66.92 -47.86 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -54.8 -38.35 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -79.72 -34.96 39.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.24 100.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.49 64.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.69 142.39 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -108.28 173.88 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -144.59 127.61 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 6.4 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -89.39 147.43 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -62.36 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.44 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -173.43 79.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.07 159.71 28.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.56 30.77 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.717 2.278 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -151.84 101.93 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.85 92.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 114' ' ' VAL . 29.4 t -86.7 -55.51 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 54.8 m -51.79 -34.8 41.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.456 HG12 HD12 ' B' ' 116' ' ' LEU . 76.7 t -67.54 -54.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.38 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.721 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.2 t -65.18 -56.79 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.17 -54.39 38.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.634 ' HB3' HD22 ' A' ' 16' ' ' LEU . 10.9 mt -53.19 -51.43 62.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.32 -52.39 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 114' ' ' VAL . 98.6 t -50.92 -48.38 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.98 -53.59 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.34 -38.77 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.0 m -57.72 -43.73 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.84 -41.58 91.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.9 t80 -56.18 -48.44 76.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 69.6 m -71.58 -36.85 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 30.1 m -68.64 -46.68 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.0 mt -65.88 -34.64 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mt -70.78 -36.48 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.72 -52.84 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 131' ' ' LEU . 6.5 p -57.48 -45.58 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.466 ' N ' HG13 ' B' ' 130' ' ' VAL . 23.2 mt -65.04 -48.5 73.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -56.12 -35.39 67.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -76.57 -32.61 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -155.35 98.95 2.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 143.49 62.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.59 142.24 35.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -108.54 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -144.51 127.41 16.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 16' ' ' LEU . 70.8 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.336 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 97.6 t -64.82 -56.71 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.8 -54.55 36.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.7 mt -52.63 -51.54 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -52.18 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 99.4 t -51.17 -48.43 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.18 49.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.52 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.81 -41.41 86.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.69 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -57.54 -44.62 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.99 -33.55 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.2 m -70.51 -37.35 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 m -67.65 -50.25 58.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.69 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.5 mt -63.16 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.57 -45.3 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.34 -39.17 78.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 t -55.2 -47.43 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.64 HG12 HD12 ' B' ' 116' ' ' LEU . 72.4 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.85 0.357 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.31 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.7 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.9 t -64.82 -56.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.58 35.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.648 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.7 mt -52.68 -51.28 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.68 -53.0 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.9 t -51.04 -48.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.14 -53.29 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.36 80.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.31 -43.46 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.86 -41.66 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.3 -44.41 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.1 -33.52 73.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -68.01 -36.48 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.7 m -70.72 -49.21 49.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.4 mt -64.05 -35.14 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 16' ' ' LEU . 77.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.41 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 92.8 t -65.51 -57.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.49 -53.93 41.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 12' ' ' VAL . 11.3 mt -52.4 -52.05 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.71 -51.96 52.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 88.6 t -51.24 -48.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.48 -54.25 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.56 77.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.49 -42.95 88.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.63 -42.13 91.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.9 t80 -56.81 -46.62 81.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.8 -27.57 63.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -75.27 -35.25 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 30' ' ' VAL . 57.7 m -72.2 -46.13 57.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.205 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.6 mt -63.67 -50.54 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.44 -42.23 86.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.36 -49.67 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 26' ' ' THR . 99.1 t -58.16 -56.52 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.885 0.374 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.41 87.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.668 ' O ' HG23 ' B' ' 118' ' ' VAL . 95.5 t -66.31 -56.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.79 -53.89 41.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.602 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -52.5 -52.13 56.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.98 52.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 114' ' ' VAL . 88.2 t -51.12 -48.46 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.086 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.28 -53.09 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.47 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.5 m -58.12 -43.98 87.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.6 -40.97 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -57.0 -47.36 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.28 -28.05 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.8 m -74.83 -34.15 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -73.1 -45.49 56.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 7.7 mt -63.54 -51.72 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 84.9 t . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -34.07 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.6 t -66.94 -56.75 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.15 54.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.4 mt -52.08 -52.77 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 -51.48 55.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.5 t -51.05 -48.34 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.24 -53.81 54.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.44 78.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.84 -41.72 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.0 -41.79 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -57.07 -47.27 81.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.4 -26.85 62.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -75.53 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 m -72.8 -45.81 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.726 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.2 mt -63.7 -51.71 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.13 -40.56 85.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.8 -52.58 63.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 26' ' ' THR . 95.7 t -53.86 -56.74 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 116' ' ' LEU . 75.1 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.883 0.373 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.82 -33.85 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.636 ' O ' HG23 ' B' ' 118' ' ' VAL . 84.4 t -66.03 -57.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.99 -52.29 53.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.675 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.0 mt -51.78 -52.38 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.57 -52.11 49.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 114' ' ' VAL . 80.8 t -50.92 -48.32 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.15 -53.54 57.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.54 80.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.2 m -58.01 -44.16 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.46 -41.13 93.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.709 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -56.98 -46.62 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -27.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 49.0 m -75.17 -34.64 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 67.2 m -72.74 -45.62 57.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.709 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -63.59 -52.11 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 16' ' ' LEU . 69.5 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.888 0.375 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.04 77.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' VAL . 66.6 t -66.29 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.66 -51.93 56.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.3 mt -51.8 -52.77 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.48 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 14' ' ' VAL . 57.9 t -51.13 -48.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.35 -53.98 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.79 -42.16 88.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.55 -42.1 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.94 -46.6 81.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.45 -27.25 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -75.25 -34.65 61.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.7 m -73.15 -46.07 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.0 mt -63.43 -50.95 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.78 -49.31 78.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 26' ' ' THR . 99.6 t -58.09 -56.18 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.487 HG12 HD12 ' B' ' 116' ' ' LEU . 72.8 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 118' ' ' VAL . 70.0 t -67.44 -57.42 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.9 55.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.9 mt -51.87 -52.1 52.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.94 52.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 114' ' ' VAL . 57.4 t -51.2 -48.08 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.33 -53.49 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.4 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.55 -38.27 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.09 -44.19 87.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.53 -41.24 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.89 -45.52 82.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.59 -28.4 63.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -75.07 -33.82 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 68.1 m -73.06 -46.19 53.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.8 mt -63.53 -51.1 66.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG12 HD12 ' A' ' 16' ' ' LEU . 73.7 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.86 0.362 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.1 t -65.36 -57.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.65 -54.1 40.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.3 mt -53.39 -52.33 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.13 50.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.2 t -50.91 -48.53 28.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.92 -53.57 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -58.16 -42.61 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.23 -42.32 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.2 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.56 -30.08 69.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -72.59 -38.51 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.1 m -67.89 -48.08 67.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.7 mt -59.88 -49.99 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.63 -40.73 79.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.37 -37.48 85.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' THR . 92.9 t -66.82 -54.89 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.494 HG12 HD12 ' B' ' 116' ' ' LEU . 66.7 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.936 0.398 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.69 -36.34 78.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.708 ' O ' HG23 ' B' ' 118' ' ' VAL . 84.4 t -65.71 -58.27 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.94 -53.42 45.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.611 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -54.23 -52.25 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.22 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.4 t -50.89 -48.13 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.2 -52.85 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.74 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.1 m -57.86 -43.81 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.06 -40.78 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.692 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.0 t80 -56.74 -49.45 75.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.69 -30.49 70.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.3 m -72.16 -38.43 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 82.1 m -68.0 -49.65 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -58.35 -51.7 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 16' ' ' LEU . 68.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.778 0.323 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -38.19 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 95.5 t -65.61 -57.3 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.74 -52.65 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -53.5 -52.87 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.91 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 93.9 t -50.83 -48.72 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.8 t80 -57.54 -53.5 57.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.61 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -58.34 -42.05 86.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -41.61 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.75 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 27' ' ' LEU . 2.1 mt -66.25 -31.89 72.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.8 m -68.79 -41.45 78.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.5 m -66.77 -54.09 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD11 ' CE1' ' A' ' 23' ' ' PHE . 5.0 mt -52.82 -48.22 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.58 -46.17 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.73 -31.14 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 89.9 t -76.67 -52.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.707 HG12 HD12 ' B' ' 116' ' ' LEU . 66.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.84 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.709 ' O ' HG23 ' B' ' 118' ' ' VAL . 97.3 t -65.88 -57.17 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.09 -52.21 54.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.707 HD12 HG12 ' B' ' 112' ' ' VAL . 11.9 mt -54.43 -52.53 61.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.38 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.9 t -50.71 -48.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.51 -52.67 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -60.04 -39.03 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.8 m -57.5 -43.21 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.65 -40.94 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -56.53 -50.53 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' B' ' 127' ' ' LEU . 2.2 mt -63.48 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.5 m -65.52 -40.66 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 58.8 m -65.16 -54.66 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.212 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.5 mt -52.03 -51.14 59.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.818 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 80.6 t . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.87 0.366 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.0 t -65.05 -57.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -53.98 41.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.08 -52.62 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.4 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.6 t -51.12 -48.28 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.56 -54.07 51.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.12 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -58.77 -42.7 89.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.16 -41.87 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.71 -49.21 75.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.22 -29.02 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 m -72.72 -38.77 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.5 m -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.3 mt -59.28 -50.94 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.01 -50.19 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.79 -45.29 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 26' ' ' THR . 96.2 t -60.11 -51.93 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.669 HG12 HD12 ' B' ' 116' ' ' LEU . 73.8 t . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.29 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.711 ' O ' HG23 ' B' ' 118' ' ' VAL . 91.6 t -65.08 -57.32 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.69 -53.95 41.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.669 HD12 HG12 ' B' ' 112' ' ' VAL . 10.6 mt -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.68 46.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.0 t -50.93 -47.99 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.64 -53.79 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.18 -38.22 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -58.24 -45.0 88.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.69 -41.14 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.76 -47.45 80.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.21 -29.09 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.3 m -73.11 -38.19 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 56.3 m -69.12 -48.54 62.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' B' ' 123' ' ' PHE . 8.8 mt -60.03 -52.21 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.858 0.361 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.97 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.7 t -64.21 -57.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.6 -54.85 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' B' ' 116' ' ' LEU . 14.4 mt -52.7 -48.96 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -51.55 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.9 t -50.65 -48.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -50.57 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.99 99.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -56.73 -39.52 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.65 -46.09 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 27' ' ' LEU . 2.2 t80 -58.0 -42.53 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.18 -31.65 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.9 m -73.89 -33.52 64.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.5 m -70.85 -46.66 62.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.0 mt -63.15 -50.61 69.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.06 -40.61 81.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.33 -51.75 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 26' ' ' THR . 89.0 t -55.53 -57.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.417 HG12 HD12 ' B' ' 116' ' ' LEU . 76.2 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.851 0.358 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.17 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.475 ' O ' HG23 ' B' ' 118' ' ' VAL . 88.7 t -65.47 -57.68 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.01 32.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.643 ' HB3' HD22 ' A' ' 16' ' ' LEU . 5.0 mt -54.02 -46.47 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.34 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.4 t -50.53 -52.63 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -55.6 -55.11 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.05 -40.29 73.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.13 -44.27 83.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.49 -39.97 94.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -58.58 -45.08 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -27.63 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 65.9 m -76.28 -34.91 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.1 m -71.75 -47.68 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.3 mt -64.07 -49.91 70.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG12 HD12 ' A' ' 16' ' ' LEU . 69.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.31 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.7 t -65.07 -57.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.31 -54.44 37.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.7 -52.1 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.1 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 97.5 t -51.14 -48.49 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.2 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.32 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -58.84 -41.95 88.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.62 -42.15 87.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.7 t80 -57.5 -45.25 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -32.74 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -71.84 -37.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 m -66.67 -49.01 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.4 mt -64.44 -37.07 86.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.7 -39.85 84.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 t -55.18 -48.02 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.658 HG12 HD12 ' B' ' 116' ' ' LEU . 69.3 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.11 78.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.712 ' O ' HG23 ' B' ' 118' ' ' VAL . 94.0 t -64.93 -56.47 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.96 41.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.658 HD12 HG12 ' B' ' 112' ' ' VAL . 10.2 mt -53.58 -51.47 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.83 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.6 t -51.0 -48.41 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.23 -53.58 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.37 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.16 -44.08 87.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.39 -41.37 93.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.696 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.03 -45.49 83.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.98 -32.45 72.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 68.9 m -71.14 -35.56 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 59.4 m -69.98 -48.55 57.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.696 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.3 mt -64.34 -34.14 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 16' ' ' LEU . 79.2 t . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -36.18 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.3 t -65.2 -57.5 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -54.03 40.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 12' ' ' VAL . 12.3 mt -52.33 -52.6 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.74 -51.62 54.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.1 t -50.99 -48.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.6 t80 -57.88 -54.08 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.7 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.26 -42.82 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.98 -42.32 89.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 27' ' ' LEU . 6.1 t80 -57.68 -46.68 83.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -31.7 72.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -72.26 -39.63 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -65.41 -47.18 77.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.6 mt -66.67 -36.07 81.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -61.64 -43.72 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.43 -39.59 77.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 t -55.82 -48.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.456 HG12 HD12 ' B' ' 116' ' ' LEU . 76.7 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.38 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.721 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.2 t -65.18 -56.79 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.17 -54.39 38.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LEU . . . . . 0.634 ' HB3' HD22 ' A' ' 16' ' ' LEU . 10.9 mt -53.19 -51.43 62.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.32 -52.39 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 114' ' ' VAL . 98.6 t -50.92 -48.38 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.98 -53.59 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.34 -38.77 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.0 m -57.72 -43.73 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.84 -41.58 91.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.9 t80 -56.18 -48.44 76.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 69.6 m -71.58 -36.85 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 30.1 m -68.64 -46.68 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.0 mt -65.88 -34.64 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -126.31 117.28 22.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -141.45 170.12 16.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.79 -177.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -167.36 76.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.74 159.75 30.23 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.558 0.694 . . . . 0.0 111.139 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 138.39 37.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -155.3 103.59 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.97 88.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.4 t -71.62 -56.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -51.66 -33.18 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 16' ' ' LEU . 70.8 t -72.39 -53.14 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 97.6 t -64.82 -56.71 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.8 -54.55 36.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.7 mt -52.63 -51.54 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.03 -52.18 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 99.4 t -51.17 -48.43 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.18 49.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.52 78.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.81 -41.41 86.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.69 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -57.54 -44.62 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.99 -33.55 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.2 m -70.51 -37.35 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 m -67.65 -50.25 58.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.69 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.5 mt -63.16 -37.68 88.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.57 -45.3 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.34 -39.17 78.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 t -55.2 -47.43 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.4 -48.79 63.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -54.67 -50.55 67.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -70.06 -37.66 75.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.49 34.41 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.92 116.17 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -72.51 142.45 48.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -95.74 122.91 39.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.22 175.72 8.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.874 0.368 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -126.79 116.82 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -141.75 168.03 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.08 177.43 5.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -171.03 73.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.81 159.52 29.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.632 0.729 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 137.19 34.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -155.3 102.33 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.54 86.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.659 ' O ' HG23 ' B' ' 114' ' ' VAL . 45.4 t -74.28 -63.6 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 6.1 t -52.9 -33.29 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.64 HG12 HD12 ' B' ' 116' ' ' LEU . 72.4 t -72.58 -53.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.31 75.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.7 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.9 t -64.82 -56.28 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -60.47 -54.58 35.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.648 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.7 mt -52.68 -51.28 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.68 -53.0 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.7 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.9 t -51.04 -48.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -58.14 -53.29 59.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.36 80.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.31 -43.46 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.86 -41.66 91.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.3 -44.41 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.1 -33.52 73.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -68.01 -36.48 80.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 26.7 m -70.72 -49.21 49.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.4 mt -64.05 -35.14 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.74 -38.63 80.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.45 -53.72 32.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.463 HG13 ' N ' ' B' ' 131' ' ' LEU . 6.4 p -58.39 -45.45 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.463 ' N ' HG13 ' B' ' 130' ' ' VAL . 22.1 mt -66.72 -44.18 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -52.55 -46.11 66.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -66.13 -42.64 88.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 51.97 38.54 24.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.29 118.35 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -71.09 144.22 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -94.24 123.05 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -75.11 176.1 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 ttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -95.9 -41.53 8.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -101.42 137.59 39.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.65 179.49 3.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.76 159.49 37.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 166.8 26.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -107.22 16.31 24.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.15 54.14 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.0 t -51.73 -41.67 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.775 0.321 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 t -53.61 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.705 HG12 HD12 ' A' ' 16' ' ' LEU . 77.7 t -69.1 -52.3 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.41 68.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 92.8 t -65.51 -57.46 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.49 -53.93 41.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.705 HD12 HG12 ' A' ' 12' ' ' VAL . 11.3 mt -52.4 -52.05 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.71 -51.96 52.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 88.6 t -51.24 -48.25 32.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.48 -54.25 49.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.56 77.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.49 -42.95 88.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.63 -42.13 91.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.9 t80 -56.81 -46.62 81.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.8 -27.57 63.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.4 m -75.27 -35.25 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 30' ' ' VAL . 57.7 m -72.2 -46.13 57.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.205 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.6 mt -63.67 -50.54 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.44 -42.23 86.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.5 mt -61.36 -49.67 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 26' ' ' THR . 99.1 t -58.16 -56.52 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.9 -52.79 47.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.77 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -62.46 -32.25 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.06 102.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.76 -55.04 27.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -99.24 135.68 40.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -70.4 127.39 32.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -154.85 153.24 30.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 9.1 ttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -95.85 -41.82 8.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -101.46 136.66 40.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.93 178.54 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.71 -67.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.43 159.66 47.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.652 0.739 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 164.82 33.07 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.721 2.281 . . . . 0.0 112.348 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -110.91 18.19 19.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.34 46.88 3.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.712 HG12 HG23 ' B' ' 114' ' ' VAL . 32.4 t -60.16 -33.0 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -51.61 -33.72 34.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.57 -56.71 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.41 87.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.712 HG23 HG12 ' B' ' 110' ' ' VAL . 95.5 t -66.31 -56.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.79 -53.89 41.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.602 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -52.5 -52.13 56.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.98 52.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.025 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 114' ' ' VAL . 88.2 t -51.12 -48.46 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.086 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.28 -53.09 62.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.47 80.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 62.5 m -58.12 -43.98 87.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.1 mt -65.6 -40.97 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -57.0 -47.36 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.28 -28.05 64.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.8 m -74.83 -34.15 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.696 ' O ' HG23 ' B' ' 130' ' ' VAL . 58.8 m -73.1 -45.49 56.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 7.7 mt -63.54 -51.72 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.32 -41.15 88.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.62 -49.74 76.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.696 HG23 ' O ' ' B' ' 126' ' ' THR . 95.4 t -57.59 -56.82 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.93 -53.66 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.56 -47.38 79.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -61.3 -34.51 75.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -162.94 101.26 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -55.1 -55.79 26.43 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -100.42 136.39 40.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -70.07 127.05 31.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -155.17 153.51 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -112.31 -38.79 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -82.16 108.29 15.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.3 131.75 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -107.31 -25.98 11.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 m -108.16 96.37 18.07 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.565 0.698 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 151.91 69.12 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.31 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -178.25 114.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.52 27.12 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.541 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.644 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.7 t -59.72 -41.11 84.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 p -52.81 -31.53 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 84.9 t -66.84 -54.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -34.07 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 18' ' ' VAL . 77.6 t -66.94 -56.75 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.33 -52.15 54.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.4 mt -52.08 -52.77 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.72 -51.48 55.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.029 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 14' ' ' VAL . 78.5 t -51.05 -48.34 30.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.24 -53.81 54.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.44 78.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.84 -41.72 87.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mt -67.0 -41.79 86.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.726 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -57.07 -47.27 81.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.4 -26.85 62.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -75.53 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.7 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.1 m -72.8 -45.81 56.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.726 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.2 mt -63.7 -51.71 63.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -59.13 -40.56 85.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.8 -52.58 63.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 26' ' ' THR . 95.7 t -53.86 -56.74 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.2 mt -52.02 -38.49 57.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -64.3 -41.43 96.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -74.16 -30.65 62.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.16 40.75 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.96 -131.72 1.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.577 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -99.74 153.3 19.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -74.15 159.32 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -103.07 138.77 39.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 40.7 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.845 0.355 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -112.41 -38.88 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -82.48 106.56 14.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 132.2 37.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -106.91 -28.33 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -110.88 82.24 2.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.152 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 149.94 66.96 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.595 2.197 . . . . 0.0 112.343 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.07 114.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.11 29.61 16.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.689 ' O ' HG23 ' B' ' 114' ' ' VAL . 26.1 t -57.83 -41.69 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 21.0 p -53.74 -31.93 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 116' ' ' LEU . 75.1 t -67.74 -53.64 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.224 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.82 -33.85 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 110' ' ' VAL . 84.4 t -66.03 -57.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.99 -52.29 53.76 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.675 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.0 mt -51.78 -52.38 49.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.57 -52.11 49.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 114' ' ' VAL . 80.8 t -50.92 -48.32 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.15 -53.54 57.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.54 80.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.2 m -58.01 -44.16 87.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.46 -41.13 93.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.709 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -56.98 -46.62 82.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.04 -27.65 63.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 49.0 m -75.17 -34.64 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.693 ' O ' HG23 ' B' ' 130' ' ' VAL . 67.2 m -72.74 -45.62 57.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.709 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -63.59 -52.11 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 23.3 mt -59.17 -40.06 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -62.0 -52.49 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.693 HG23 ' O ' ' B' ' 126' ' ' THR . 90.4 t -53.95 -56.73 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -52.21 -38.26 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -64.3 -41.38 96.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -74.28 -30.67 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 60.22 40.79 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -155.88 -131.81 1.46 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -99.93 153.37 19.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -74.22 159.42 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -103.0 138.82 39.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 32.6 tttp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -118.88 120.53 37.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -99.38 -27.19 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.06 130.77 36.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.14 -29.52 20.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 1.0 OUTLIER -120.44 96.32 49.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 111.181 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 6' ' ' THR . 54.7 Cg_endo -69.73 157.59 59.92 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.379 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.99 -29.33 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.27 61.18 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.465 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.1 t -65.74 -55.91 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 t -53.54 -31.1 44.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 16' ' ' LEU . 69.5 t -68.93 -53.34 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.04 77.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 10' ' ' VAL . 66.6 t -66.29 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.66 -51.93 56.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' B' ' 116' ' ' LEU . 11.3 mt -51.8 -52.77 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.48 55.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 14' ' ' VAL . 57.9 t -51.13 -48.29 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.35 -53.98 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.34 78.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.1 m -58.79 -42.16 88.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.55 -42.1 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.94 -46.6 81.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.45 -27.25 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -75.25 -34.65 61.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.7 m -73.15 -46.07 53.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.718 HD11 ' CE1' ' A' ' 23' ' ' PHE . 7.0 mt -63.43 -50.95 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.48 -41.79 90.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.78 -49.31 78.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 26' ' ' THR . 99.6 t -58.09 -56.18 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.92 -35.69 46.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.978 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -68.99 -38.75 79.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -73.97 -26.06 60.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.58 48.89 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.41 127.24 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -88.48 151.77 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -121.72 121.99 38.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -114.18 -32.85 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 71.4 mmm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -118.92 120.23 36.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -99.49 -26.86 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.07 130.73 36.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.19 -28.69 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.79 82.12 26.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.571 0.701 . . . . 0.0 111.092 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 157.97 58.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -89.51 -28.59 19.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.46 59.87 1.87 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.536 ' O ' HG23 ' B' ' 114' ' ' VAL . 40.8 t -67.06 -54.91 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 111.094 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.5 t -52.64 -30.08 29.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.487 HG12 HD12 ' B' ' 116' ' ' LEU . 72.8 t -67.99 -53.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.05 -36.06 82.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.594 ' O ' HG23 ' B' ' 118' ' ' VAL . 70.0 t -67.44 -57.42 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.62 -51.9 55.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 16' ' ' LEU . 9.9 mt -51.87 -52.1 52.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.79 -51.94 52.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.594 HG23 ' O ' ' B' ' 114' ' ' VAL . 57.4 t -51.2 -48.08 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.33 -53.49 57.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.4 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.55 -38.27 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.7 m -58.09 -44.19 87.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.53 -41.24 93.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.89 -45.52 82.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.59 -28.4 63.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -75.07 -33.82 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.703 ' O ' HG23 ' B' ' 130' ' ' VAL . 68.1 m -73.06 -46.19 53.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.8 mt -63.53 -51.1 66.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.33 -41.48 89.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.92 -48.95 79.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 126' ' ' THR . 99.0 t -57.8 -56.11 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.1 mt -51.87 -36.0 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -69.41 -38.86 78.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -74.13 -25.79 59.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.73 49.04 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.51 127.24 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -88.67 151.93 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.725 0.298 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -121.66 122.01 38.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -114.18 -32.86 5.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -151.26 116.07 5.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.64 115.79 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -142.37 174.78 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -172.93 74.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.437 HG23 ' HD2' ' A' ' 7' ' ' PRO . 86.2 m -116.33 133.57 22.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.594 0.711 . . . . 0.0 111.116 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' HD2' HG23 ' A' ' 6' ' ' THR . 53.6 Cg_endo -69.73 128.82 16.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.28 . . . . 0.0 112.316 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -157.33 104.91 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.94 107.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.521 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.659 ' O ' HG23 ' A' ' 14' ' ' VAL . 74.9 t -82.38 -56.69 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.211 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 t -51.54 -34.14 35.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG12 HD12 ' A' ' 16' ' ' LEU . 73.7 t -73.01 -52.28 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.36 77.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.1 t -65.36 -57.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.65 -54.1 40.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.3 mt -53.39 -52.33 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.847 0.356 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.62 -52.13 50.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.2 t -50.91 -48.53 28.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.92 -53.57 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -58.16 -42.61 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.23 -42.32 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.6 t80 -56.2 -49.33 74.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.56 -30.08 69.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.2 m -72.59 -38.51 67.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 77.1 m -67.89 -48.08 67.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.7 mt -59.88 -49.99 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.63 -40.73 79.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.37 -37.48 85.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' THR . 92.9 t -66.82 -54.89 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.99 -32.29 61.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -75.64 -49.5 18.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -52.3 -38.08 57.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.87 104.77 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.035 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.93 41.46 2.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -102.04 137.82 39.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.0 mtt85 -126.07 155.15 42.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -115.53 107.82 15.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -151.59 115.07 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.18 112.9 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -143.5 172.44 12.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -174.37 72.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.445 HG23 ' HD2' ' B' ' 107' ' ' PRO . 87.1 m -116.61 133.5 23.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.577 0.703 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' B' ' 106' ' ' THR . 54.6 Cg_endo -69.67 129.14 17.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.238 . . . . 0.0 112.395 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -156.87 103.74 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 67.25 103.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.647 ' O ' HG23 ' B' ' 114' ' ' VAL . 77.6 t -86.29 -61.82 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 111.14 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 17.9 t -51.89 -32.23 31.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.494 HG12 HD12 ' B' ' 116' ' ' LEU . 66.7 t -73.52 -53.25 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.69 -36.34 78.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.708 ' O ' HG23 ' B' ' 118' ' ' VAL . 84.4 t -65.71 -58.27 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.94 -53.42 45.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.611 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.5 mt -54.23 -52.25 61.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.22 50.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 114' ' ' VAL . 95.4 t -50.89 -48.13 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.2 -52.85 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.74 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.1 m -57.86 -43.81 86.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.06 -40.78 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.692 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.0 t80 -56.74 -49.45 75.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.69 -30.49 70.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 73.3 m -72.16 -38.43 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.684 ' O ' HG23 ' B' ' 130' ' ' VAL . 82.1 m -68.0 -49.65 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.692 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.7 mt -58.35 -51.7 68.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.03 -41.12 87.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -64.52 -40.23 95.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 126' ' ' THR . 97.2 t -69.72 -56.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -56.64 -33.21 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -77.88 -54.58 6.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -55.78 -49.54 72.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -174.74 106.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -93.61 33.98 4.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -109.59 139.74 44.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -125.21 152.06 45.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -117.67 107.99 14.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -103.52 -26.48 12.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -136.61 108.69 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -148.19 162.48 39.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -167.56 79.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.445 HG23 ' HD2' ' A' ' 7' ' ' PRO . 86.5 m -132.27 133.61 23.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 111.147 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 6' ' ' THR . 53.8 Cg_endo -69.7 131.31 21.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.376 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -156.71 104.18 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.2 86.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 14' ' ' VAL . 55.2 t -66.45 -56.71 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 111.101 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 m -51.92 -36.1 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG12 HD12 ' A' ' 16' ' ' LEU . 68.5 t -72.68 -53.46 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.069 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -38.19 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 18' ' ' VAL . 95.5 t -65.61 -57.3 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.74 -52.65 51.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.704 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -53.5 -52.87 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.91 51.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 14' ' ' VAL . 93.9 t -50.83 -48.72 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.8 t80 -57.54 -53.5 57.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.61 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.2 m -58.34 -42.05 86.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.02 -41.61 86.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.75 -50.25 72.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 27' ' ' LEU . 2.1 mt -66.25 -31.89 72.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.8 m -68.79 -41.45 78.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.5 m -66.77 -54.09 26.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD11 ' CE1' ' A' ' 23' ' ' PHE . 5.0 mt -52.82 -48.22 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.58 -46.17 89.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.73 -31.14 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 26' ' ' THR . 89.9 t -76.67 -52.76 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.79 -15.57 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.98 -46.03 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -87.22 -0.33 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.91 -30.11 44.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.47 55.68 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -83.24 144.26 29.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -124.09 132.14 53.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -114.76 125.22 53.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 tptp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.9 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -103.02 -27.59 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -137.48 104.85 5.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -150.01 160.05 43.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -168.78 76.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.449 HG23 ' HD2' ' B' ' 107' ' ' PRO . 86.1 m -133.69 133.59 22.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' B' ' 106' ' ' THR . 53.9 Cg_endo -69.76 131.13 20.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.4 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -156.7 103.26 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 52.24 84.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.448 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.643 ' O ' HG23 ' B' ' 114' ' ' VAL . 53.0 t -69.67 -60.51 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -52.1 -35.17 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.707 HG12 HD12 ' B' ' 116' ' ' LEU . 66.8 t -72.61 -54.68 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.204 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.71 -38.84 70.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.709 ' O ' HG23 ' B' ' 118' ' ' VAL . 97.3 t -65.88 -57.17 11.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.09 -52.21 54.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.707 HD12 HG12 ' B' ' 112' ' ' VAL . 11.9 mt -54.43 -52.53 61.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.783 0.325 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.61 -52.38 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.709 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.9 t -50.71 -48.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.51 -52.67 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -60.04 -39.03 84.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 66.8 m -57.5 -43.21 84.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.65 -40.94 88.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.3 t80 -56.53 -50.53 71.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' B' ' 127' ' ' LEU . 2.2 mt -63.48 -36.99 85.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.5 m -65.52 -40.66 93.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.587 ' O ' HG23 ' B' ' 130' ' ' VAL . 58.8 m -65.16 -54.66 26.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.212 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.5 mt -52.03 -51.14 59.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.08 -46.27 88.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 16.7 mt -56.09 -29.39 60.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 126' ' ' THR . 96.9 t -79.87 -49.25 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.35 -13.0 59.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.48 -46.77 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -89.41 8.15 32.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 130' ' ' VAL . . . -50.76 -33.29 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.07 3.78 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -89.94 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -121.57 134.49 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -111.25 126.15 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -113.35 134.31 54.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -90.6 142.87 27.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -154.82 143.94 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -170.89 83.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.49 ' HG1' ' HE2' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -130.33 159.51 70.2 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 111.068 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.01 13.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.603 2.202 . . . . 0.0 112.391 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' HE2' ' HG1' ' A' ' 6' ' ' THR . 24.6 m-85 -154.42 103.02 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.98 96.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.662 ' O ' HG23 ' A' ' 14' ' ' VAL . 59.0 t -77.42 -56.63 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.4 p -52.07 -31.87 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 16' ' ' LEU . 80.6 t -70.82 -54.27 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.197 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.0 t -65.05 -57.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -53.98 41.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.08 -52.62 50.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.4 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.6 t -51.12 -48.28 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.7 t80 -58.56 -54.07 51.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.68 -38.12 77.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.8 m -58.77 -42.7 89.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.16 -41.87 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.5 t80 -56.71 -49.21 75.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.22 -29.02 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 m -72.72 -38.77 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.5 m -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 HD11 ' CE1' ' A' ' 23' ' ' PHE . 8.3 mt -59.28 -50.94 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.01 -50.19 67.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.1 mt -57.79 -45.29 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 26' ' ' THR . 96.2 t -60.11 -51.93 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.94 -35.9 64.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.48 -37.23 60.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -75.58 -13.99 60.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.34 65.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.32 -71.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtp85 -101.99 134.95 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -66.1 136.37 55.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -89.77 122.1 32.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.5 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.852 0.358 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -113.79 133.36 55.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -91.28 139.8 30.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -156.76 140.52 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -171.91 81.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.02 159.72 71.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.9 9.58 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.8 2.333 . . . . 0.0 112.255 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -155.5 102.74 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.21 96.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.656 ' O ' HG23 ' B' ' 114' ' ' VAL . 58.4 t -76.13 -64.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 82.6 p -52.67 -33.87 49.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.669 HG12 HD12 ' B' ' 116' ' ' LEU . 73.8 t -72.89 -52.41 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.61 -37.29 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.711 ' O ' HG23 ' B' ' 118' ' ' VAL . 91.6 t -65.08 -57.32 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.69 -53.95 41.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.669 HD12 HG12 ' B' ' 112' ' ' VAL . 10.6 mt -53.13 -51.84 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.68 46.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.711 HG23 ' O ' ' B' ' 114' ' ' VAL . 99.0 t -50.93 -47.99 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -58.64 -53.79 54.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.18 -38.22 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -58.24 -45.0 88.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.69 -41.14 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.2 t80 -56.76 -47.45 80.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 mt -69.21 -29.09 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 64.3 m -73.11 -38.19 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.607 ' O ' HG23 ' B' ' 130' ' ' VAL . 56.3 m -69.12 -48.54 62.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' B' ' 123' ' ' PHE . 8.8 mt -60.03 -52.21 66.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.7 mt -53.59 -47.85 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 14.4 mt -57.75 -46.58 84.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 126' ' ' THR . 84.2 t -61.52 -53.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.82 -27.72 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -73.65 -37.96 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -77.97 -42.87 31.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 40.2 51.36 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.81 -77.2 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -104.04 136.1 44.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -64.72 140.73 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.43 121.26 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp 53.0 47.82 23.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -137.25 141.46 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.43 119.14 10.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.57 -26.42 7.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.9 159.78 71.08 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.599 0.714 . . . . 0.0 111.115 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 135.67 30.86 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -153.46 102.62 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.06 93.16 0.19 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.463 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 14' ' ' VAL . 57.5 t -82.33 -56.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 m -51.64 -30.96 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.66 -52.52 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -32.97 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 18' ' ' VAL . 87.7 t -64.21 -57.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.6 -54.85 34.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' B' ' 116' ' ' LEU . 14.4 mt -52.7 -48.96 66.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -51.55 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 14' ' ' VAL . 94.9 t -50.65 -48.41 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.19 -50.57 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.99 99.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -56.73 -39.52 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 mt -68.65 -46.09 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 27' ' ' LEU . 2.2 t80 -58.0 -42.53 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.18 -31.65 69.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.9 m -73.89 -33.52 64.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.5 m -70.85 -46.66 62.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 23' ' ' PHE . 6.0 mt -63.15 -50.61 69.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.06 -40.61 81.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.33 -51.75 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 26' ' ' THR . 89.0 t -55.53 -57.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.6 mt -52.01 -37.19 52.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.87 -39.36 69.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -69.29 -32.43 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.76 97.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.56 95.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 -81.38 127.14 32.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -118.78 121.95 41.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -76.5 173.3 11.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.7 tttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp 52.98 47.75 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -136.98 142.0 42.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -143.12 119.73 11.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.2 -26.33 7.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.03 159.66 71.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.188 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.0 34.47 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -151.05 101.38 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.18 90.88 0.13 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.636 ' O ' HG23 ' B' ' 114' ' ' VAL . 58.2 t -85.63 -65.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 13.5 m -52.04 -30.2 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.417 HG12 HD12 ' B' ' 116' ' ' LEU . 76.2 t -71.41 -52.91 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.11 -35.17 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.636 HG23 ' O ' ' B' ' 110' ' ' VAL . 88.7 t -65.47 -57.68 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -57.3 -55.01 32.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.643 ' HB3' HD22 ' A' ' 16' ' ' LEU . 5.0 mt -54.02 -46.47 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.97 -56.34 18.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.4 t -50.53 -52.63 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.097 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -55.6 -55.11 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.05 -40.29 73.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.13 -44.27 83.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.49 -39.97 94.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.8 t80 -58.58 -45.08 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.35 -27.63 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 65.9 m -76.28 -34.91 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.791 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . 0.666 ' O ' HG23 ' B' ' 130' ' ' VAL . 26.1 m -71.75 -47.68 52.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' B' ' 123' ' ' PHE . 6.3 mt -64.07 -49.91 70.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 40.1 mt -58.53 -40.37 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.04 -52.04 61.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.666 HG23 ' O ' ' B' ' 126' ' ' THR . 87.6 t -55.42 -57.99 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.0 mt -53.02 -35.54 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -70.28 -39.79 74.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.808 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -69.22 -35.11 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -161.15 94.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 167.17 95.96 0.1 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -81.18 126.24 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -120.03 121.84 39.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -76.54 172.97 12.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 48.7 tttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -135.49 115.05 12.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -135.97 153.98 51.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.26 151.99 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -166.06 90.54 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.467 ' HG1' ' HE2' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -54.72 159.79 3.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.03 18.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.467 ' HE2' ' HG1' ' A' ' 6' ' ' THR . 25.2 m-85 -154.9 103.5 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.75 85.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.6 t -67.38 -56.66 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -51.64 -31.67 26.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG12 HD12 ' A' ' 16' ' ' LEU . 69.2 t -73.48 -53.06 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 -36.31 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.7 t -65.07 -57.23 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.31 -54.44 37.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' B' ' 116' ' ' LEU . 12.2 mt -52.7 -52.1 57.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.1 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 14' ' ' VAL . 97.5 t -51.14 -48.49 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.26 -54.2 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.32 77.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.4 m -58.84 -41.95 88.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.62 -42.15 87.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.687 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.7 t80 -57.5 -45.25 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.71 -32.74 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.4 m -71.84 -37.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.2 m -66.67 -49.01 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.4 mt -64.44 -37.07 86.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.07 -45.85 93.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -67.7 -39.85 84.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.9 t -55.18 -48.02 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.76 -51.01 62.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.43 -32.38 62.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -83.09 -27.43 30.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.52 100.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.08 107.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -91.14 153.9 19.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -112.2 145.46 39.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.65 134.34 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -136.62 115.83 12.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -135.57 149.94 49.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.13 150.0 37.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -168.72 89.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.79 159.58 5.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 0.0 111.136 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.68 13.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.694 2.262 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -155.16 102.52 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.62 83.28 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 114' ' ' VAL . 40.4 t -68.44 -65.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 59.0 p -53.61 -32.1 49.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.658 HG12 HD12 ' B' ' 116' ' ' LEU . 69.3 t -73.8 -53.08 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.11 78.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.712 ' O ' HG23 ' B' ' 118' ' ' VAL . 94.0 t -64.93 -56.47 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.96 41.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.658 HD12 HG12 ' B' ' 112' ' ' VAL . 10.2 mt -53.58 -51.47 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.83 44.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 114' ' ' VAL . 96.6 t -51.0 -48.41 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.23 -53.58 56.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.37 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.16 -44.08 87.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.39 -41.37 93.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.696 ' CE1' HD11 ' B' ' 127' ' ' LEU . 6.4 t80 -57.03 -45.49 83.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.98 -32.45 72.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 68.9 m -71.14 -35.56 71.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 59.4 m -69.98 -48.55 57.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.696 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.3 mt -64.34 -34.14 77.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.84 -39.26 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.0 -53.12 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.46 HG13 ' N ' ' B' ' 131' ' ' LEU . 6.5 p -58.24 -45.45 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.46 ' N ' HG13 ' B' ' 130' ' ' VAL . 24.5 mt -66.07 -51.62 56.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -56.54 -31.75 64.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -81.75 -26.76 34.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -157.24 99.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -167.17 108.22 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -90.98 154.03 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -111.94 145.66 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -120.47 134.46 55.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 27.1 tttm . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ptt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -89.43 147.22 24.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -61.57 -26.34 67.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -118.98 173.12 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -172.16 84.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.52 159.53 30.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.531 0.681 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 134.03 27.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.396 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -152.98 102.34 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.98 96.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.687 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.5 t -81.66 -56.68 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.1 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 m -51.66 -37.67 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 16' ' ' LEU . 79.2 t -70.45 -52.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -36.18 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.707 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.3 t -65.2 -57.5 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.94 -54.03 40.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 12' ' ' VAL . 12.3 mt -52.33 -52.6 52.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.74 -51.62 54.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 14' ' ' VAL . 86.1 t -50.99 -48.68 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' CD2' ' HB1' ' B' ' 120' ' ' ALA . 1.6 t80 -57.88 -54.08 50.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.7 78.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.8 m -58.26 -42.82 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.787 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.98 -42.32 89.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 27' ' ' LEU . 6.1 t80 -57.68 -46.68 83.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.49 -31.7 72.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -72.26 -39.63 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -65.41 -47.18 77.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD11 ' CE1' ' A' ' 23' ' ' PHE . 4.6 mt -66.67 -36.07 81.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -61.64 -43.72 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.43 -39.59 77.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 t -55.82 -48.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.3 mt -66.92 -47.86 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -54.8 -38.35 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -79.72 -34.96 39.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.24 100.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.49 64.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -78.69 142.39 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -108.28 173.88 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -144.59 127.61 16.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 6.4 ptt? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -89.39 147.43 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -62.36 -30.37 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -123.44 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -173.43 79.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.07 159.71 28.45 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.169 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 135.56 30.77 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.717 2.278 . . . . 0.0 112.324 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -151.84 101.93 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 61.85 92.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 114' ' ' VAL . 29.4 t -86.7 -55.51 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 54.8 m -51.79 -34.8 41.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.456 HG12 HD12 ' B' ' 116' ' ' LEU . 76.7 t -67.54 -54.88 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.38 82.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.721 ' O ' HG23 ' B' ' 118' ' ' VAL . 92.2 t -65.18 -56.79 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . -59.17 -54.39 38.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.634 ' HB3' HD22 ' A' ' 16' ' ' LEU . 10.9 mt -53.19 -51.43 62.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.32 -52.39 53.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 114' ' ' VAL . 98.6 t -50.92 -48.38 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.98 -53.59 56.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -59.34 -38.77 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 63.0 m -57.72 -43.73 85.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.84 -41.58 91.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' B' ' 127' ' ' LEU . 5.9 t80 -56.18 -48.44 76.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.52 -31.84 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . . . . . . . . . 69.6 m -71.58 -36.85 71.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' THR . . . . . . . . . . . . . 30.1 m -68.64 -46.68 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' B' ' 123' ' ' PHE . 4.0 mt -65.88 -34.64 78.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mt -70.78 -36.48 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.72 -52.84 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 131' ' ' LEU . 6.5 p -57.48 -45.58 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.466 ' N ' HG13 ' B' ' 130' ' ' VAL . 23.2 mt -65.04 -48.5 73.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -56.12 -35.39 67.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -76.57 -32.61 58.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -155.35 98.95 2.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 143.49 62.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.59 142.24 35.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -108.54 173.89 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -144.51 127.41 16.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.903 . . . . . . . . 0 0 . 1 stop_ save_