data_6s0n_residue ############################ # Computer software used # ############################ 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 6s0n _Structure_validation_residue.Date_analyzed 2019-11-01 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 full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.767 0.318 . . . . 70.32 110.94 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.564 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 6.5 m-20 -153.14 94.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.865 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.22 -14.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 7.0 p-10 -97.14 -19.93 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 61.32 110.914 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.564 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.39 -8.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.78 -24.57 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.059 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.29 152.28 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 74.33 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.2 -42.82 71.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.79 0.329 . . . . 74.4 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.549 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 21.3 m-20 -156.4 94.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.44 -13.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.167 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 2.2 m120 -97.53 -19.78 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.916 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.5 -8.11 31.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 74.54 111.13 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.89 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 63.21 111.059 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 144.14 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 64.21 111.127 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.39 146.44 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 62.41 111.126 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 p90 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.911 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.807 0.337 . . . . 75.43 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.557 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 1.3 m-20 -74.59 94.75 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.875 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -54.42 -13.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.14 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 11.1 p30 -97.52 -19.87 18.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.41 110.913 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.47 -8.11 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 75.31 111.169 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.68 -25.01 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 55.22 111.121 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 -26.64 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 74.53 111.093 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.68 -179.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 71.14 111.123 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.3 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.902 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.341 . . . . 73.34 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.544 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 50.7 m-20 -76.07 94.82 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.83 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.46 -13.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 65.31 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -97.5 -19.89 18.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.47 -8.05 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.162 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.73 -24.98 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.111 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.23 152.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.42 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.31 63.01 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 63.34 111.124 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 75.33 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 61.5 m-20 -65.76 94.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.845 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.42 -13.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.11 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 24.5 p30 -97.47 -19.89 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.56 -8.04 30.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 61.43 111.096 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.7 -24.97 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.145 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.33 144.16 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.09 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.42 170.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.4 110.916 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 74.3 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 7.5 m-20 -150.84 94.8 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.912 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.29 -14.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.4 111.135 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -97.12 -19.94 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.49 -8.16 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.53 111.109 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.8 -24.47 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.095 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.31 150.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.94 85.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.52 111.096 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 74.54 110.862 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.767 0.318 . . . . 74.32 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 3.5 m-20 -68.5 94.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.85 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.29 -14.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 72.12 111.124 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 9.7 m120 -97.2 -19.87 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.38 -8.28 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.45 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.46 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.53 111.143 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.27 146.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.147 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.76 171.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.064 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 73.44 110.931 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 75.32 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.559 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 99.9 m-20 -66.03 94.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 74.15 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.23 -13.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 65.32 111.146 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 12.2 m-80 -97.23 -19.91 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.906 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.559 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.39 -8.25 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.43 111.134 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.75 -24.55 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.057 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.27 152.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.94 132.68 36.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.0 111.079 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.831 0.348 . . . . 73.1 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 40.9 m-20 -86.95 94.9 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.845 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.27 -14.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 64.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 8.7 p30 -97.25 -19.89 18.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.874 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.4 -8.22 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.164 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.7 -24.65 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.144 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.36 -26.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.86 139.4 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.13 111.102 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.931 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.782 0.325 . . . . 65.34 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.546 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 13.7 m-20 -155.21 94.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.3 -13.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.157 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.18 -19.91 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.93 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.546 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.46 -8.15 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.103 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.78 -24.56 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.35 111.099 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.33 144.63 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 73.02 111.129 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.75 33.47 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.867 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.792 0.33 . . . . 74.35 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.557 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 44.7 m-20 -89.97 94.86 9.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 74.42 110.88 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.31 -13.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 70.51 111.135 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 60.7 m-20 -97.19 -19.93 18.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.914 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.3 -8.27 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.153 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.74 -24.55 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 73.1 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.35 150.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.03 111.093 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.92 -39.41 69.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.25 111.109 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.945 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 73.41 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 1.7 m-20 -63.96 94.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 61.34 110.869 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.29 -14.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.45 111.154 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.406 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 64.6 m-20 -97.19 -19.96 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.878 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.37 -8.17 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.191 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.62 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 63.25 111.082 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.22 143.59 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.03 111.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.2 175.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.088 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.914 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 75.24 110.975 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 37.4 m-20 -153.76 94.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.28 -14.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.094 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -97.18 -19.91 18.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.849 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.36 -8.22 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 74.52 111.126 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.85 -24.42 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 71.45 111.089 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.34 -26.67 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 63.12 111.101 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.23 26.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 73.43 111.071 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 m95 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 65.05 110.872 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 72.01 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 60.4 m-20 -71.29 94.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 71.34 110.901 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.19 -14.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -97.19 -19.9 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.48 -8.15 31.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.121 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.81 -24.53 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.32 -26.6 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 71.35 111.188 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.45 -170.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 63.42 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.7 m95 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.946 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 74.1 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.564 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 33.8 m-20 -82.23 94.86 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 75.51 110.831 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -14.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 74.35 111.189 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 3.4 p-10 -97.19 -19.94 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.866 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.564 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.38 -8.22 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.13 111.133 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.62 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 52.31 111.092 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.41 -26.57 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 74.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.9 94.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 71.22 111.065 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 75.02 110.93 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 72.22 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.548 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 70.8 m-20 -63.87 94.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.894 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.39 -13.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.406 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 76.5 m-20 -97.42 -19.91 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.922 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 5.8 t -67.48 -8.05 30.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 64.54 111.14 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.76 -25.06 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.31 111.105 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.3 152.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.54 111.138 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.65 55.83 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 73.45 111.096 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.949 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' NE2' ' H ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 75.34 110.92 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.526 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 65.5 m-20 43.68 84.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.8 -12.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.114 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -20.29 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 4.0 t -66.41 -9.1 30.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.03 111.146 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.94 -22.55 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.083 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.04 147.42 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.11 111.17 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.91 80.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.41 111.071 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.4 m0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.52 110.915 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 75.21 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 1.9 m-20 43.66 84.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.842 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.79 -12.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.128 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -96.7 -20.26 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 4.0 t -66.44 -9.04 30.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.132 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.99 -22.48 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.41 111.107 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.19 159.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 72.14 111.089 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.25 89.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.076 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 50.3 m95 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.897 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 75.51 110.953 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.527 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 2.9 m-20 43.65 84.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.927 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.8 -12.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 72.32 111.085 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -96.71 -20.28 18.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.927 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 4.0 t -66.33 -9.14 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.185 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.95 -22.48 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.087 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.15 159.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.2 114.31 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 65.42 111.099 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.7 m0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.52 110.94 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 74.34 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.53 ' HB2' ' HB ' ' A' ' 31' ' ' THR . 65.9 m-20 43.59 84.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 70.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.84 -12.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.34 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -96.72 -20.27 18.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.913 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 28' ' ' ASP . 4.0 t -66.38 -9.07 29.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 75.31 111.165 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.95 -22.47 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.125 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.2 p -54.18 -26.73 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.65 163.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.112 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.919 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.767 0.318 . . . . 70.32 110.94 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.918 ' O ' HG22 ' A' ' 31' ' ' THR . 6.5 m-20 -153.14 94.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.865 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.22 -14.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 71.34 111.123 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 7.0 p-10 -97.14 -19.93 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 61.32 110.914 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.39 -8.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.78 -24.57 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.059 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.29 152.28 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 72.51 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.2 -42.82 71.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.79 0.329 . . . . 74.4 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.914 ' O ' HG22 ' A' ' 31' ' ' THR . 21.3 m-20 -156.4 94.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.44 -13.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.167 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 2.2 m120 -97.53 -19.78 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.916 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.914 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.5 -8.11 31.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 71.03 111.13 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.89 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 61.3 111.059 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 144.14 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.4 111.127 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.39 146.44 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 43.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 p90 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.911 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.807 0.337 . . . . 75.43 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.913 ' O ' HG22 ' A' ' 31' ' ' THR . 1.3 m-20 -74.59 94.75 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.875 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -54.42 -13.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 62.42 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 11.1 p30 -97.52 -19.87 18.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.913 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.47 -8.11 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 50.15 111.169 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.68 -25.01 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 41.11 111.121 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 -26.64 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 62.13 111.093 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.68 -179.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.02 111.123 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.3 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.902 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.341 . . . . 73.34 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.915 ' O ' HG22 ' A' ' 31' ' ' THR . 50.7 m-20 -76.07 94.82 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.83 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.46 -13.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 65.31 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -97.5 -19.89 18.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.915 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.47 -8.05 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 51.14 111.162 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.73 -24.98 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.111 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.23 152.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.31 63.01 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 63.34 111.124 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 73.53 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.928 ' O ' HG22 ' A' ' 31' ' ' THR . 61.5 m-20 -65.76 94.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.845 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.42 -13.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 44.05 111.11 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 24.5 p30 -97.47 -19.89 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.928 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.56 -8.04 30.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 61.43 111.096 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.7 -24.97 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.145 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.33 144.16 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.09 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.42 170.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 70.32 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.4 110.916 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 74.3 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.92 ' O ' HG22 ' A' ' 31' ' ' THR . 7.5 m-20 -150.84 94.8 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.912 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.29 -14.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 42.14 111.135 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 5.6 m120 -97.12 -19.94 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.918 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.92 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.49 -8.16 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 71.52 111.109 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.8 -24.47 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.095 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.31 150.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.103 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.94 85.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 31.22 111.096 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 73.45 110.862 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.767 0.318 . . . . 74.25 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.904 ' O ' HG22 ' A' ' 31' ' ' THR . 3.5 m-20 -68.5 94.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.85 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 29' ' ' VAL . 7.4 p -54.29 -14.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 30.13 111.124 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 9.7 m120 -97.2 -19.87 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.38 -8.28 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.45 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.46 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.53 111.143 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.27 146.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 54.22 111.147 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.76 171.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.064 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 64.43 110.931 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 71.53 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.916 ' O ' HG22 ' A' ' 31' ' ' THR . 99.9 m-20 -66.03 94.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 74.15 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.23 -13.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 65.32 111.146 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 12.2 m-80 -97.23 -19.91 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 20.33 110.906 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.916 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.39 -8.25 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.33 111.134 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.75 -24.55 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.057 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.27 152.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 52.33 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.94 132.68 36.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.25 111.079 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.831 0.348 . . . . 73.1 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.923 ' O ' HG22 ' A' ' 31' ' ' THR . 40.9 m-20 -86.95 94.9 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.845 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 29' ' ' VAL . 7.4 p -54.27 -14.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 53.45 111.12 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 8.7 p30 -97.25 -19.89 18.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 63.15 110.874 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.4 -8.22 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.164 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.7 -24.65 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.144 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.36 -26.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.86 139.4 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.13 111.102 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.931 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.782 0.325 . . . . 65.34 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.92 ' O ' HG22 ' A' ' 31' ' ' THR . 13.7 m-20 -155.21 94.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.3 -13.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.157 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 1.1 t-20 -97.18 -19.91 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.93 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.92 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.46 -8.15 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.103 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.78 -24.56 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 44.12 111.099 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.33 144.63 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 55.42 111.129 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.75 33.47 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.867 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.792 0.33 . . . . 74.15 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.923 ' O ' HG22 ' A' ' 31' ' ' THR . 44.7 m-20 -89.97 94.86 9.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 70.12 110.88 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.31 -13.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 64.44 111.135 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 60.7 m-20 -97.19 -19.93 18.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.914 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.3 -8.27 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.153 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.74 -24.55 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.05 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.35 150.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.03 111.093 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.92 -39.41 69.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.25 111.109 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.945 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 73.41 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.922 ' O ' HG22 ' A' ' 31' ' ' THR . 1.7 m-20 -63.96 94.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 61.34 110.869 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 29' ' ' VAL . 7.4 p -54.29 -14.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.154 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 64.6 m-20 -97.19 -19.96 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.878 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.922 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.37 -8.17 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 64.15 111.191 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.62 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 63.25 111.082 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.22 143.59 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.53 111.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.2 175.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.088 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.914 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 75.24 110.975 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.924 ' O ' HG22 ' A' ' 31' ' ' THR . 37.4 m-20 -153.76 94.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.28 -14.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 63.04 111.094 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 9.1 p30 -97.18 -19.91 18.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.849 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.924 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.36 -8.22 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.03 111.126 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.85 -24.42 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 71.45 111.089 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.34 -26.67 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 61.23 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.23 26.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 43.52 111.071 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 m95 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 65.05 110.872 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 72.01 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.93 ' O ' HG22 ' A' ' 31' ' ' THR . 60.4 m-20 -71.29 94.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.45 110.901 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.5 p -54.19 -14.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.406 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 2.1 t30 -97.19 -19.9 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 40.41 110.867 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.93 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.48 -8.15 31.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.121 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.81 -24.53 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 -26.6 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 71.35 111.188 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.45 -170.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 53.52 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.7 m95 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.946 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.505 ' N ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 74.1 110.895 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.913 ' O ' HG22 ' A' ' 31' ' ' THR . 33.8 m-20 -82.23 94.86 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 75.51 110.831 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.5 p -54.23 -14.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 51.22 111.189 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 3.4 p-10 -97.19 -19.94 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 53.44 110.866 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.38 -8.22 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 54.41 111.133 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.62 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 51.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.41 -26.57 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.45 111.148 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.9 94.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 71.22 111.065 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 75.02 110.93 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 72.22 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.912 ' O ' HG22 ' A' ' 31' ' ' THR . 70.8 m-20 -63.87 94.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.894 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.39 -13.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.4 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 76.5 m-20 -97.42 -19.91 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.922 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.48 -8.05 30.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 52.23 111.14 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.76 -25.06 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.31 111.105 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.3 152.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.54 111.138 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.65 55.83 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 42.14 111.096 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.949 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 65.14 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.793 ' O ' HG22 ' A' ' 31' ' ' THR . 65.5 m-20 43.68 84.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.8 -12.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.114 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 33' ' ' VAL . 7.4 p30 -96.7 -20.29 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 52.52 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.41 -9.1 30.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.3 111.146 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.94 -22.55 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.083 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.04 147.42 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.11 111.17 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.91 80.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 45.15 111.071 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.4 m0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.52 110.915 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 75.21 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.801 ' O ' HG22 ' A' ' 31' ' ' THR . 1.9 m-20 43.66 84.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.842 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.79 -12.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.128 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.441 ' O ' HG12 ' A' ' 33' ' ' VAL . 17.5 p30 -96.7 -20.26 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.44 -9.04 30.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.132 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.99 -22.48 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.41 111.107 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.19 159.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 64.24 111.089 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.25 89.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.076 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 50.3 m95 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.897 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 75.51 110.953 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.792 ' O ' HG22 ' A' ' 31' ' ' THR . 2.9 m-20 43.65 84.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.927 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.8 -12.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 65.43 111.085 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.2 p-10 -96.71 -20.28 18.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.33 -9.14 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.185 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.95 -22.48 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.087 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.15 159.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.135 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.2 114.31 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 42.41 111.099 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.7 m0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.94 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 73.11 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.804 ' O ' HG22 ' A' ' 31' ' ' THR . 65.9 m-20 43.59 84.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 70.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.84 -12.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 64.32 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 33' ' ' VAL . 1.8 p-10 -96.72 -20.27 18.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.913 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.38 -9.07 29.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 75.31 111.165 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.95 -22.47 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.125 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.18 -26.73 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.113 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.65 163.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.112 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.03 110.919 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.767 0.318 . . . . 70.32 110.94 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.918 ' O ' HG22 ' A' ' 31' ' ' THR . 6.5 m-20 -153.14 94.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.865 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.22 -14.08 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 71.34 111.123 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 7.0 p-10 -97.14 -19.93 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 61.32 110.914 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.918 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.39 -8.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.78 -24.57 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.059 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.29 152.28 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 72.51 111.126 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.2 -42.82 71.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 75.3 110.901 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.79 0.329 . . . . 74.4 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.914 ' O ' HG22 ' A' ' 31' ' ' THR . 21.3 m-20 -156.4 94.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.44 -13.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.13 111.167 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 2.2 m120 -97.53 -19.78 18.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.916 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.914 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.5 -8.11 31.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 71.03 111.13 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.89 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 61.3 111.059 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 144.14 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 63.4 111.127 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.39 146.44 48.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 43.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.7 p90 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.911 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.807 0.337 . . . . 75.43 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.913 ' O ' HG22 ' A' ' 31' ' ' THR . 1.3 m-20 -74.59 94.75 2.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.875 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -54.42 -13.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 62.42 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 11.1 p30 -97.52 -19.87 18.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 71.12 110.913 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.47 -8.11 30.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 50.15 111.169 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.68 -25.01 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 41.11 111.121 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 -26.64 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 62.13 111.093 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.68 -179.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.02 111.123 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.3 m95 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.902 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.341 . . . . 73.34 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.915 ' O ' HG22 ' A' ' 31' ' ' THR . 50.7 m-20 -76.07 94.82 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.83 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.46 -13.64 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 65.31 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -97.5 -19.89 18.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.915 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.47 -8.05 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 51.14 111.162 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.73 -24.98 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 54.21 111.111 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.23 152.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.124 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.31 63.01 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 63.34 111.124 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.825 0.345 . . . . 73.53 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.928 ' O ' HG22 ' A' ' 31' ' ' THR . 61.5 m-20 -65.76 94.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.845 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.42 -13.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 44.05 111.11 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 24.5 p30 -97.47 -19.89 18.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.889 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.928 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.56 -8.04 30.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 61.43 111.096 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.7 -24.97 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.145 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.33 144.16 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 62.54 111.09 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.42 170.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 70.32 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 71.4 110.916 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 74.3 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.92 ' O ' HG22 ' A' ' 31' ' ' THR . 7.5 m-20 -150.84 94.8 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.912 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.29 -14.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 42.14 111.135 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 5.6 m120 -97.12 -19.94 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.918 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.92 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.49 -8.16 31.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 71.52 111.109 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.8 -24.47 2.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.095 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.31 150.95 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.103 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.94 85.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 31.22 111.096 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 73.45 110.862 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.767 0.318 . . . . 74.25 110.896 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.904 ' O ' HG22 ' A' ' 31' ' ' THR . 3.5 m-20 -68.5 94.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 72.32 110.85 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 29' ' ' VAL . 7.4 p -54.29 -14.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 30.13 111.124 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.415 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 9.7 m120 -97.2 -19.87 18.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.903 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.38 -8.28 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 75.45 111.118 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.46 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 74.53 111.143 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.27 146.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 54.22 111.147 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.76 171.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.064 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.7 m-90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 64.43 110.931 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 71.53 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.916 ' O ' HG22 ' A' ' 31' ' ' THR . 99.9 m-20 -66.03 94.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 74.15 110.877 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.23 -13.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 65.32 111.146 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 12.2 m-80 -97.23 -19.91 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 20.33 110.906 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.916 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.39 -8.25 31.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.33 111.134 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.75 -24.55 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.057 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.27 152.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 52.33 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.94 132.68 36.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 71.25 111.079 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 74.23 110.9 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.831 0.348 . . . . 73.1 110.938 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.923 ' O ' HG22 ' A' ' 31' ' ' THR . 40.9 m-20 -86.95 94.9 9.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.845 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 29' ' ' VAL . 7.4 p -54.27 -14.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 53.45 111.12 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 8.7 p30 -97.25 -19.89 18.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 63.15 110.874 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.4 -8.22 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.164 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.7 -24.65 2.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.144 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.36 -26.63 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.86 139.4 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.13 111.102 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.931 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.782 0.325 . . . . 65.34 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.92 ' O ' HG22 ' A' ' 31' ' ' THR . 13.7 m-20 -155.21 94.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 71.21 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.3 -13.96 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.157 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 1.1 t-20 -97.18 -19.91 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.93 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.92 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.46 -8.15 31.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.23 111.103 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.78 -24.56 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 44.12 111.099 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.33 144.63 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 55.42 111.129 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.75 33.47 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 70.11 111.143 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.867 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.792 0.33 . . . . 74.15 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.923 ' O ' HG22 ' A' ' 31' ' ' THR . 44.7 m-20 -89.97 94.86 9.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 70.12 110.88 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.31 -13.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 64.44 111.135 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 60.7 m-20 -97.19 -19.93 18.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.914 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.923 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.3 -8.27 30.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.153 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.74 -24.55 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 72.05 111.116 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.35 150.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 75.03 111.093 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.92 -39.41 69.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 74.25 111.109 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.945 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.77 0.319 . . . . 73.41 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.922 ' O ' HG22 ' A' ' 31' ' ' THR . 1.7 m-20 -63.96 94.88 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 61.34 110.869 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 29' ' ' VAL . 7.4 p -54.29 -14.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.154 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 64.6 m-20 -97.19 -19.96 18.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.878 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.922 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.37 -8.17 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 64.15 111.191 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.62 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 63.25 111.082 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.22 143.59 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.53 111.147 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.2 175.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.088 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.914 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 75.24 110.975 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.924 ' O ' HG22 ' A' ' 31' ' ' THR . 37.4 m-20 -153.76 94.83 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.13 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.4 p -54.28 -14.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 63.04 111.094 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 1.1 p-10 -97.18 -19.91 18.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.849 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.924 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.36 -8.22 30.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.03 111.126 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.85 -24.42 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 71.45 111.089 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.34 -26.67 15.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 61.23 111.101 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.23 26.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 43.52 111.071 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 m95 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 65.05 110.872 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.341 . . . . 72.01 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.93 ' O ' HG22 ' A' ' 31' ' ' THR . 60.4 m-20 -71.29 94.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 65.45 110.901 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.5 p -54.19 -14.06 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.406 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 2.1 t30 -97.19 -19.9 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 40.41 110.867 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.93 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.48 -8.15 31.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.121 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.81 -24.53 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.078 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.32 -26.6 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 71.35 111.188 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.45 -170.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 53.52 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.7 m95 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.3 110.946 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 74.1 110.895 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.913 ' O ' HG22 ' A' ' 31' ' ' THR . 33.8 m-20 -82.23 94.86 7.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 75.51 110.831 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 29' ' ' VAL . 7.5 p -54.23 -14.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 51.22 111.189 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 3.4 p-10 -97.19 -19.94 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 53.44 110.866 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.38 -8.22 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 54.41 111.133 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.77 -24.62 2.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 51.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.41 -26.57 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.45 111.148 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 62.9 94.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 71.22 111.065 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 75.02 110.93 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 72.22 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.912 ' O ' HG22 ' A' ' 31' ' ' THR . 70.8 m-20 -63.87 94.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.894 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.39 -13.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.4 111.126 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 76.5 m-20 -97.42 -19.91 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.922 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 28' ' ' ASP . 5.8 t -67.48 -8.05 30.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 52.23 111.14 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.76 -25.06 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.31 111.105 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 30' ' ' ASN . 4.2 p -54.3 152.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.54 111.138 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.65 55.83 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 42.14 111.096 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.949 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.535 ' NE2' ' H ' ' A' ' 28' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 65.14 110.92 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.793 ' O ' HG22 ' A' ' 31' ' ' THR . 65.5 m-20 43.68 84.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.861 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.8 -12.59 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.114 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.421 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -96.7 -20.29 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 52.52 110.865 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.41 -9.1 30.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.3 111.146 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.94 -22.55 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 73.21 111.083 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.04 147.42 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 72.11 111.17 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.91 80.85 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 45.15 111.071 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 29.4 m0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.52 110.915 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 75.21 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.801 ' O ' HG22 ' A' ' 31' ' ' THR . 1.9 m-20 43.66 84.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.842 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.79 -12.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.128 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.441 ' O ' HG12 ' A' ' 33' ' ' VAL . 17.5 p30 -96.7 -20.26 18.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.44 -9.04 30.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.132 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.99 -22.48 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 65.41 111.107 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.19 159.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 64.24 111.089 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.25 89.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.076 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 50.3 m95 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.897 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 75.51 110.953 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.792 ' O ' HG22 ' A' ' 31' ' ' THR . 2.9 m-20 43.65 84.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.927 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.8 -12.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 65.43 111.085 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' O ' HG12 ' A' ' 33' ' ' VAL . 2.2 p-10 -96.71 -20.28 18.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.927 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.33 -9.14 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 75.14 111.185 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.95 -22.48 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.087 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.15 159.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.135 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.2 114.31 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 42.41 111.099 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.7 m0 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.94 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 73.11 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.804 ' O ' HG22 ' A' ' 31' ' ' THR . 65.9 m-20 43.59 84.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 70.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.84 -12.56 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 64.32 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 33' ' ' VAL . 1.8 p-10 -96.72 -20.27 18.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.913 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 28' ' ' ASP . 4.0 t -66.38 -9.07 29.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 75.31 111.165 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.95 -22.47 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 73.34 111.125 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 30' ' ' ASN . 4.2 p -54.18 -26.73 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.113 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.65 163.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.112 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 73.03 110.919 -179.95 . . . . . . . . 0 0 . 1 stop_ save_