data_1qa4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1qa4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.89 0.376 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.69 112.32 19.14 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 t -143.7 137.41 28.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -149.06 128.62 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -128.08 146.62 33.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.242 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.09 137.08 53.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.19 111.92 0.51 Allowed Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.619 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.9 p-90 -145.49 147.62 34.09 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.652 0.263 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.13 136.34 22.2 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.767 2.311 . . . . -10.0 112.762 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.0 127.13 5.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 p -128.24 -56.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.794 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 152.08 0.25 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.863 0.363 . . . . 0.0 111.347 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.26 136.1 13.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.13 84.85 2.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.947 0.403 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.48 129.05 44.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.89 122.9 8.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -172.7 4.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.085 0.469 . . . . 0.0 110.999 -179.737 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.712 0.292 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.53 173.62 6.47 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.44 -93.68 1.09 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.655 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.7 m -143.07 107.77 1.34 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.834 0.35 . . . . 0.0 111.286 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.16 58.05 0.71 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.612 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.82 147.36 27.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.759 0.314 . . . . 0.0 111.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 136.93 47.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.23 76.41 0.71 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -57.5 4.15 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -35.91 75.68 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.2 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -37.44 40.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.621 0.248 . . . . 0.0 110.861 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -47.82 70.89 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -44.45 79.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.57 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -72.55 -39.87 67.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.443 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.24 -36.55 59.88 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.323 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.16 39.79 1.14 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.9 tp -123.01 -37.76 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 p -122.86 164.38 18.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.734 0.302 . . . . 0.0 111.371 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -108.59 -51.35 2.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -115.02 89.52 3.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.888 0.375 . . . . 0.0 110.735 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.94 125.59 48.65 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.031 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m 58.87 55.0 4.79 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.245 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.47 142.14 30.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.297 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.62 30.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 CA--C 1.539 0.544 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.916 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.977 0.417 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -158.42 134.47 9.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -146.77 151.18 36.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -90.51 119.85 31.12 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.5 150.69 4.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.481 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 72.52 158.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.766 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 174.22 22.52 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.714 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -155.2 152.93 26.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.51 166.87 28.59 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.708 2.272 . . . . -10.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.33 51.46 0.76 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t 70.99 -66.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.897 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 80.31 -45.48 0.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.789 0.435 . . . . 0.0 111.984 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -54.45 3.87 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 68.8 9.42 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -105.12 -37.55 6.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.581 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -75.29 113.32 12.53 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.703 0.287 . . . . 0.0 110.796 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.91 31.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.51 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.54 -179.726 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.639 0.257 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.65 -178.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.466 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.91 -72.03 0.17 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.681 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -145.37 163.4 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.279 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.85 107.97 2.23 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.306 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.64 75.35 2.64 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 111.42 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.0 -66.23 0.93 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.704 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 66.7 p -76.72 94.66 3.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.976 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -82.38 0.14 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.27 -72.45 0.62 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.35 6.45 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.422 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.704 ' HB3' ' HA ' ' A' ' 34' ' ' SER . 34.6 tt0 -48.69 -38.5 21.57 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.084 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' N ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -58.01 -56.54 20.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.398 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -74.88 -38.74 61.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.655 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.15 94.48 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.942 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.69 51.28 1.85 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.758 0.313 . . . . 0.0 111.768 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -125.69 105.14 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.762 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 m -103.05 82.7 2.12 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -131.04 105.2 7.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -132.46 148.49 52.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.265 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -103.39 132.92 49.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.3 p -107.71 98.39 7.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.36 -174.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.702 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.77 -172.85 0.17 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.513 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 112.629 -0.189 . . . . 0.0 112.629 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.07 130.24 2.86 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.74 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.23 95.11 1.79 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 -139.86 141.02 36.65 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -79.53 97.67 6.54 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.789 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.69 112.32 19.14 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 t -143.7 137.41 28.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -149.06 128.62 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -128.08 146.62 33.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.242 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.09 137.08 53.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.19 111.92 0.51 Allowed Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.619 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 19.9 p-90 -145.49 147.62 34.09 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.652 0.263 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.13 136.34 22.2 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.767 2.311 . . . . -10.0 112.762 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.0 127.13 5.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 p -128.24 -56.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.794 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 152.08 0.25 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.863 0.363 . . . . 0.0 111.347 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.26 136.1 13.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.773 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.13 84.85 2.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.947 0.403 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.48 129.05 44.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.89 122.9 8.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -172.7 4.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.9 53.82 1.38 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.085 0.469 . . . . 0.0 110.999 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -95.55 133.6 25.5 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.055 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 114.14 3.87 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.709 2.273 . . . . -10.0 112.457 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.23 136.38 36.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.12 126.52 38.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.53 173.62 6.47 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.44 -93.68 1.09 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.655 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.7 m -143.07 107.77 1.34 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.834 0.35 . . . . 0.0 111.286 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.16 58.05 0.71 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.612 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.82 147.36 27.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.759 0.314 . . . . 0.0 111.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 136.93 47.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.23 76.41 0.71 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -57.5 4.15 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -35.91 75.68 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.2 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -37.44 40.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.621 0.248 . . . . 0.0 110.861 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -47.82 70.89 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -44.45 79.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.57 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -72.55 -39.87 67.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.443 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.24 -36.55 59.88 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.323 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.16 39.79 1.14 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.9 tp -123.01 -37.76 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 p -122.86 164.38 18.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.734 0.302 . . . . 0.0 111.371 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -108.59 -51.35 2.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -115.02 89.52 3.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.888 0.375 . . . . 0.0 110.735 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.94 125.59 48.65 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.031 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m 58.87 55.0 4.79 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.245 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.47 142.14 30.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.297 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.62 30.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 p30 48.17 -163.27 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.79 166.44 24.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 111.201 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.0 140.02 52.85 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.3 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 72.95 152.36 0.12 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.648 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.0 154.69 42.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.24 149.53 23.04 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.248 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.0 m95 68.89 -79.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.327 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.361 -0.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 112.645 -0.182 . . . . 0.0 112.645 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.01 -145.46 17.81 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.792 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.9 56.52 5.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.106 0.479 . . . . 0.0 111.135 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -106.89 177.55 4.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.089 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 65.33 55.23 1.09 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.977 0.417 . . . . 0.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -158.42 134.47 9.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -146.77 151.18 36.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.264 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -90.51 119.85 31.12 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.5 150.69 4.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.481 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 72.52 158.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.766 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 174.22 22.52 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.714 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -155.2 152.93 26.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.51 166.87 28.59 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.708 2.272 . . . . -10.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.33 51.46 0.76 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t 70.99 -66.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.897 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 80.31 -45.48 0.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.789 0.435 . . . . 0.0 111.984 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -54.45 3.87 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 68.8 9.42 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.015 0.436 . . . . 0.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -105.12 -37.55 6.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.581 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -75.29 113.32 12.53 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.703 0.287 . . . . 0.0 110.796 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.91 31.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.51 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 121.52 13.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.54 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.3 132.28 24.26 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.09 67.9 5.01 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.688 2.259 . . . . -10.0 112.745 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.03 131.19 44.13 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.11 107.54 13.16 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.253 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.65 -178.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.466 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.91 -72.03 0.17 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.681 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -145.37 163.4 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.279 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.85 107.97 2.23 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.306 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.64 75.35 2.64 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 111.42 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.0 -66.23 0.93 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.704 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 66.7 p -76.72 94.66 3.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.976 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -82.38 0.14 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.27 -72.45 0.62 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.35 6.45 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.422 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.704 ' HB3' ' HA ' ' A' ' 34' ' ' SER . 34.6 tt0 -48.69 -38.5 21.57 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.084 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' N ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -58.01 -56.54 20.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.398 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -74.88 -38.74 61.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.655 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.15 94.48 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.233 -0.508 . . . . 0.0 112.942 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.69 51.28 1.85 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.758 0.313 . . . . 0.0 111.768 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -125.69 105.14 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.321 . . . . 0.0 110.762 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 m -103.05 82.7 2.12 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -131.04 105.2 7.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -132.46 148.49 52.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.265 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -103.39 132.92 49.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.3 p -107.71 98.39 7.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.456 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.36 -174.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.702 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.77 -172.85 0.17 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.513 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -141.01 130.55 23.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.79 -178.45 0.17 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.417 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.36 77.69 7.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.73 -84.11 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.522 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t 53.29 39.39 29.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.714 0.292 . . . . 0.0 111.642 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 57' ' ' TRP . . . -169.5 144.32 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 11.1 t90 68.67 140.4 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.144 0.497 . . . . 0.0 111.268 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.89 0.376 . . . . -10.0 110.789 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.69 112.32 19.14 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . -10.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 t -143.7 137.41 28.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.112 -0.495 . . . . -10.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -149.06 128.62 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . -10.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -128.08 146.62 33.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.2 -0.455 . . . . -10.0 111.242 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.09 137.08 53.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.19 111.92 0.51 Allowed Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.021 -0.609 . . . . -10.0 112.619 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 15' ' ' ALA . 19.9 p-90 -145.49 147.62 34.09 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.652 0.263 . . . . -10.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.13 136.34 22.2 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.767 2.311 . . . . -10.0 112.762 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . . . -158.0 127.13 5.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.086 -0.506 . . . . -10.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 17' ' ' ARG . 3.4 p -128.24 -56.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . -10.0 111.794 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' H ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER 177.75 152.08 0.25 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.863 0.363 . . . . -10.0 111.347 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.26 136.1 13.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.075 -0.511 . . . . -10.0 110.773 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.13 84.85 2.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.947 0.403 . . . . -10.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.48 129.05 44.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.168 -0.469 . . . . -10.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.89 122.9 8.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -172.7 4.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.04 -0.527 . . . . -10.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.085 0.469 . . . . -10.0 110.999 -179.737 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.712 0.292 . . . . -10.0 111.196 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.53 173.62 6.47 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.157 -0.474 . . . . -10.0 111.239 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.44 -93.68 1.09 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.102 -0.571 . . . . -10.0 112.655 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.7 m -143.07 107.77 1.34 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.834 0.35 . . . . -10.0 111.286 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.16 58.05 0.71 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.066 -0.588 . . . . -10.0 112.612 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.82 147.36 27.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.759 0.314 . . . . -10.0 111.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 136.93 47.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.19 -0.459 . . . . -10.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.23 76.41 0.71 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.095 -0.502 . . . . -10.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -57.5 4.15 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.162 -0.472 . . . . -10.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -35.91 75.68 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.357 -0.383 . . . . -10.0 111.2 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -37.44 40.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.621 0.248 . . . . -10.0 110.861 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -47.82 70.89 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.309 -0.405 . . . . -10.0 110.503 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -44.45 79.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.423 . . . . -10.0 111.57 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 43' ' ' ILE . 65.3 m-70 -72.55 -39.87 67.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.612 -0.267 . . . . -10.0 111.443 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.24 -36.55 59.88 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.132 -0.556 . . . . -10.0 113.323 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.16 39.79 1.14 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.153 0.427 . . . . -10.0 112.153 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 40' ' ' HIS . 2.9 tp -123.01 -37.76 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.418 HG23 HG23 ' A' ' 43' ' ' ILE . 4.6 p -122.86 164.38 18.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.734 0.302 . . . . -10.0 111.371 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -108.59 -51.35 2.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.293 -0.412 . . . . -10.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -115.02 89.52 3.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.888 0.375 . . . . -10.0 110.735 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.94 125.59 48.65 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.076 -0.511 . . . . -10.0 111.031 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m 58.87 55.0 4.79 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.103 -0.498 . . . . -10.0 111.245 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.47 142.14 30.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.081 -0.509 . . . . -10.0 111.297 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.62 30.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.172 -0.467 . . . . -10.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 CA--C 1.539 0.544 0 CA-C-N 115.996 -0.547 . . . . -10.0 111.916 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.977 0.417 . . . . -10.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -158.42 134.47 9.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.058 -0.519 . . . . -10.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -146.77 151.18 36.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.229 -0.442 . . . . -10.0 111.264 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -90.51 119.85 31.12 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.157 -0.474 . . . . -10.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.5 150.69 4.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.281 -0.418 . . . . -10.0 111.481 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 72.52 158.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.974 -0.557 . . . . -10.0 111.766 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 174.22 22.52 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.065 -0.588 . . . . -10.0 112.714 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -155.2 152.93 26.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 120.653 0.263 . . . . -10.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.51 166.87 28.59 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.708 2.272 . . . . -10.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.33 51.46 0.76 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.161 -0.472 . . . . -10.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t 70.99 -66.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.116 -0.493 . . . . -10.0 111.897 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 80.31 -45.48 0.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.789 0.435 . . . . -10.0 111.984 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -54.45 3.87 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.849 0.315 . . . . -10.0 111.849 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 68.8 9.42 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.015 0.436 . . . . -10.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -105.12 -37.55 6.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.943 -0.571 . . . . -10.0 111.581 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -75.29 113.32 12.53 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.703 0.287 . . . . -10.0 110.796 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.91 31.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.51 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-N 116.487 -0.324 . . . . -10.0 111.54 -179.726 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.639 0.257 . . . . -10.0 111.253 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.65 -178.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.057 -0.52 . . . . -10.0 111.466 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.91 -72.03 0.17 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.925 -0.655 . . . . -10.0 112.681 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -145.37 163.4 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.808 0.337 . . . . -10.0 111.279 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.85 107.97 2.23 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.083 -0.579 . . . . -10.0 112.306 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.64 75.35 2.64 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.897 0.38 . . . . -10.0 111.42 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.0 -66.23 0.93 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.091 -0.504 . . . . -10.0 110.932 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.73 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 66.7 p -76.72 94.66 3.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.385 -0.371 . . . . -10.0 110.976 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -82.38 0.14 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.365 0.876 . . . . -10.0 113.365 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.27 -72.45 0.62 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.282 0.845 . . . . -10.0 113.282 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.35 6.45 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.422 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.73 ' HB3' ' HA ' ' A' ' 34' ' ' SER . 34.6 tt0 -48.69 -38.5 21.57 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.989 -0.551 . . . . -10.0 111.084 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.586 ' N ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -58.01 -56.54 20.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . -10.0 111.398 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -74.88 -38.74 61.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.564 -0.289 . . . . -10.0 111.655 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.15 94.48 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.233 -0.508 . . . . -10.0 112.942 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.69 51.28 1.85 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.758 0.313 . . . . -10.0 111.768 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -125.69 105.14 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.321 . . . . -10.0 110.762 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 m -103.05 82.7 2.12 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.298 -0.41 . . . . -10.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -131.04 105.2 7.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.151 -0.477 . . . . -10.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -132.46 148.49 52.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.28 -0.418 . . . . -10.0 111.265 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -103.39 132.92 49.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . -10.0 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.3 p -107.71 98.39 7.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.395 -0.366 . . . . -10.0 111.456 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.36 -174.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.141 -0.481 . . . . -10.0 111.702 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.77 -172.85 0.17 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.274 -0.421 . . . . -10.0 111.513 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . -10.0 110.957 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 112.629 -0.189 . . . . -10.0 112.629 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.07 130.24 2.86 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.854 -0.688 . . . . -10.0 112.74 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.23 95.11 1.79 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . -10.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 -139.86 141.02 36.65 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.212 -0.449 . . . . -10.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -79.53 97.67 6.54 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.243 -0.435 . . . . -10.0 110.789 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.69 112.32 19.14 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . -10.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 t -143.7 137.41 28.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.112 -0.495 . . . . -10.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -149.06 128.62 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . -10.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -128.08 146.62 33.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.2 -0.455 . . . . -10.0 111.242 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.09 137.08 53.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.19 111.92 0.51 Allowed Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.021 -0.609 . . . . -10.0 112.619 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 15' ' ' ALA . 19.9 p-90 -145.49 147.62 34.09 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.652 0.263 . . . . -10.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.13 136.34 22.2 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.767 2.311 . . . . -10.0 112.762 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . . . -158.0 127.13 5.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.086 -0.506 . . . . -10.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 17' ' ' ARG . 3.4 p -128.24 -56.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . -10.0 111.794 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' H ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER 177.75 152.08 0.25 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.863 0.363 . . . . -10.0 111.347 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.26 136.1 13.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.075 -0.511 . . . . -10.0 110.773 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.13 84.85 2.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.947 0.403 . . . . -10.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.48 129.05 44.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.168 -0.469 . . . . -10.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.89 122.9 8.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -172.7 4.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.04 -0.527 . . . . -10.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.9 53.82 1.38 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.085 0.469 . . . . -10.0 110.999 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -95.55 133.6 25.5 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 115.843 -0.617 . . . . -10.0 111.055 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 114.14 3.87 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.709 2.273 . . . . -10.0 112.457 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.23 136.38 36.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.155 -0.475 . . . . -10.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.12 126.52 38.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.222 -0.445 . . . . -10.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.53 173.62 6.47 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.157 -0.474 . . . . -10.0 111.239 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.44 -93.68 1.09 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.102 -0.571 . . . . -10.0 112.655 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.7 m -143.07 107.77 1.34 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.834 0.35 . . . . -10.0 111.286 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.16 58.05 0.71 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.066 -0.588 . . . . -10.0 112.612 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.82 147.36 27.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.759 0.314 . . . . -10.0 111.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 136.93 47.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.19 -0.459 . . . . -10.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.23 76.41 0.71 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.095 -0.502 . . . . -10.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -57.5 4.15 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.162 -0.472 . . . . -10.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -35.91 75.68 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.357 -0.383 . . . . -10.0 111.2 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -37.44 40.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.621 0.248 . . . . -10.0 110.861 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -47.82 70.89 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.309 -0.405 . . . . -10.0 110.503 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -44.45 79.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.423 . . . . -10.0 111.57 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 43' ' ' ILE . 65.3 m-70 -72.55 -39.87 67.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.612 -0.267 . . . . -10.0 111.443 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.24 -36.55 59.88 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.132 -0.556 . . . . -10.0 113.323 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.16 39.79 1.14 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.153 0.427 . . . . -10.0 112.153 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 40' ' ' HIS . 2.9 tp -123.01 -37.76 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.418 HG23 HG23 ' A' ' 43' ' ' ILE . 4.6 p -122.86 164.38 18.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.734 0.302 . . . . -10.0 111.371 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -108.59 -51.35 2.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.293 -0.412 . . . . -10.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -115.02 89.52 3.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.888 0.375 . . . . -10.0 110.735 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.94 125.59 48.65 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.076 -0.511 . . . . -10.0 111.031 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m 58.87 55.0 4.79 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.103 -0.498 . . . . -10.0 111.245 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.47 142.14 30.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.081 -0.509 . . . . -10.0 111.297 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.62 30.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.172 -0.467 . . . . -10.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 p30 48.17 -163.27 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.996 -0.547 . . . . -10.0 111.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.79 166.44 24.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.787 0.327 . . . . -10.0 111.201 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' ALA . . . -70.0 140.02 52.85 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.173 -0.467 . . . . -10.0 111.3 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 53' ' ' ALA . . . 72.95 152.36 0.12 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.021 -0.536 . . . . -10.0 111.648 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.0 154.69 42.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.067 -0.515 . . . . -10.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.24 149.53 23.04 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.196 -0.456 . . . . -10.0 111.248 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.0 m95 68.89 -79.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.062 -0.517 . . . . -10.0 111.327 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.361 -0.212 . . . . -10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 112.645 -0.182 . . . . -10.0 112.645 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.01 -145.46 17.81 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.983 -0.627 . . . . -10.0 112.792 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.9 56.52 5.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.106 0.479 . . . . -10.0 111.135 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -106.89 177.55 4.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.948 -0.569 . . . . -10.0 111.089 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 65.33 55.23 1.09 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.977 0.417 . . . . -10.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -158.42 134.47 9.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.058 -0.519 . . . . -10.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -146.77 151.18 36.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.229 -0.442 . . . . -10.0 111.264 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -90.51 119.85 31.12 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.157 -0.474 . . . . -10.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.5 150.69 4.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.281 -0.418 . . . . -10.0 111.481 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 72.52 158.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.974 -0.557 . . . . -10.0 111.766 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 174.22 22.52 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.065 -0.588 . . . . -10.0 112.714 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -155.2 152.93 26.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 120.653 0.263 . . . . -10.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.51 166.87 28.59 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.708 2.272 . . . . -10.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.33 51.46 0.76 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.161 -0.472 . . . . -10.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t 70.99 -66.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.116 -0.493 . . . . -10.0 111.897 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 80.31 -45.48 0.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.789 0.435 . . . . -10.0 111.984 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -54.45 3.87 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.849 0.315 . . . . -10.0 111.849 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 68.8 9.42 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.015 0.436 . . . . -10.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -105.12 -37.55 6.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.943 -0.571 . . . . -10.0 111.581 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -75.29 113.32 12.53 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.703 0.287 . . . . -10.0 110.796 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.91 31.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.51 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 121.52 13.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.487 -0.324 . . . . -10.0 111.54 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.3 132.28 24.26 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.131 -0.486 . . . . -10.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.09 67.9 5.01 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.688 2.259 . . . . -10.0 112.745 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.03 131.19 44.13 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.105 -0.498 . . . . -10.0 111.02 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.11 107.54 13.16 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.264 -0.425 . . . . -10.0 111.253 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.65 -178.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.057 -0.52 . . . . -10.0 111.466 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.91 -72.03 0.17 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.925 -0.655 . . . . -10.0 112.681 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -145.37 163.4 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.808 0.337 . . . . -10.0 111.279 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.85 107.97 2.23 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.083 -0.579 . . . . -10.0 112.306 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.64 75.35 2.64 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.897 0.38 . . . . -10.0 111.42 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.0 -66.23 0.93 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.091 -0.504 . . . . -10.0 110.932 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.73 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 66.7 p -76.72 94.66 3.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.385 -0.371 . . . . -10.0 110.976 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -82.38 0.14 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.365 0.876 . . . . -10.0 113.365 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.27 -72.45 0.62 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.282 0.845 . . . . -10.0 113.282 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.35 6.45 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.422 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.73 ' HB3' ' HA ' ' A' ' 34' ' ' SER . 34.6 tt0 -48.69 -38.5 21.57 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.989 -0.551 . . . . -10.0 111.084 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' N ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -58.01 -56.54 20.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . -10.0 111.398 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -74.88 -38.74 61.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.564 -0.289 . . . . -10.0 111.655 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.15 94.48 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.233 -0.508 . . . . -10.0 112.942 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.69 51.28 1.85 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.758 0.313 . . . . -10.0 111.768 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -125.69 105.14 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.321 . . . . -10.0 110.762 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 m -103.05 82.7 2.12 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.298 -0.41 . . . . -10.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -131.04 105.2 7.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.151 -0.477 . . . . -10.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -132.46 148.49 52.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.28 -0.418 . . . . -10.0 111.265 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -103.39 132.92 49.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . -10.0 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.3 p -107.71 98.39 7.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.395 -0.366 . . . . -10.0 111.456 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.36 -174.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.141 -0.481 . . . . -10.0 111.702 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.77 -172.85 0.17 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.274 -0.421 . . . . -10.0 111.513 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -141.01 130.55 23.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . -10.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.79 -178.45 0.17 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.143 -0.48 . . . . -10.0 111.417 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.36 77.69 7.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.282 -0.417 . . . . -10.0 110.723 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.73 -84.11 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.752 -0.658 . . . . -10.0 111.522 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t 53.29 39.39 29.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.714 0.292 . . . . -10.0 111.642 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 57' ' ' TRP . . . -169.5 144.32 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 11.1 t90 68.67 140.4 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.144 0.497 . . . . 0.0 111.268 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.89 0.376 . . . . -10.0 110.789 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.69 112.32 19.14 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . -10.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 t -143.7 137.41 28.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.112 -0.495 . . . . -10.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -149.06 128.62 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . -10.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -128.08 146.62 33.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.2 -0.455 . . . . -10.0 111.242 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.09 137.08 53.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.19 111.92 0.51 Allowed Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.021 -0.609 . . . . -10.0 112.619 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 15' ' ' ALA . 19.9 p-90 -145.49 147.62 34.09 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.652 0.263 . . . . -10.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.13 136.34 22.2 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.767 2.311 . . . . -10.0 112.762 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . . . -158.0 127.13 5.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.086 -0.506 . . . . -10.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 17' ' ' ARG . 3.4 p -128.24 -56.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . -10.0 111.794 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' H ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER 177.75 152.08 0.25 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.863 0.363 . . . . -10.0 111.347 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.26 136.1 13.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.075 -0.511 . . . . -10.0 110.773 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.13 84.85 2.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.947 0.403 . . . . -10.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.48 129.05 44.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.168 -0.469 . . . . -10.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.89 122.9 8.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -172.7 4.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.04 -0.527 . . . . -10.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.085 0.469 . . . . -10.0 110.999 -179.737 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.712 0.292 . . . . -10.0 111.196 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.53 173.62 6.47 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.157 -0.474 . . . . -10.0 111.239 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.44 -93.68 1.09 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.102 -0.571 . . . . -10.0 112.655 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.7 m -143.07 107.77 1.34 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.834 0.35 . . . . -10.0 111.286 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.16 58.05 0.71 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.066 -0.588 . . . . -10.0 112.612 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.82 147.36 27.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.759 0.314 . . . . -10.0 111.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 136.93 47.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.19 -0.459 . . . . -10.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.23 76.41 0.71 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.095 -0.502 . . . . -10.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -57.5 4.15 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.162 -0.472 . . . . -10.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -35.91 75.68 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.357 -0.383 . . . . -10.0 111.2 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -37.44 40.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.621 0.248 . . . . -10.0 110.861 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -47.82 70.89 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.309 -0.405 . . . . -10.0 110.503 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -44.45 79.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.423 . . . . -10.0 111.57 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 43' ' ' ILE . 65.3 m-70 -72.55 -39.87 67.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.612 -0.267 . . . . -10.0 111.443 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.24 -36.55 59.88 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.132 -0.556 . . . . -10.0 113.323 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.16 39.79 1.14 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.153 0.427 . . . . -10.0 112.153 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 40' ' ' HIS . 2.9 tp -123.01 -37.76 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.418 HG23 HG23 ' A' ' 43' ' ' ILE . 4.6 p -122.86 164.38 18.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.734 0.302 . . . . -10.0 111.371 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -108.59 -51.35 2.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.293 -0.412 . . . . -10.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -115.02 89.52 3.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.888 0.375 . . . . -10.0 110.735 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.94 125.59 48.65 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.076 -0.511 . . . . -10.0 111.031 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m 58.87 55.0 4.79 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.103 -0.498 . . . . -10.0 111.245 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.47 142.14 30.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.081 -0.509 . . . . -10.0 111.297 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.62 30.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.172 -0.467 . . . . -10.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 CA--C 1.539 0.544 0 CA-C-N 115.996 -0.547 . . . . -10.0 111.916 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.977 0.417 . . . . -10.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -158.42 134.47 9.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.058 -0.519 . . . . -10.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -146.77 151.18 36.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.229 -0.442 . . . . -10.0 111.264 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -90.51 119.85 31.12 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.157 -0.474 . . . . -10.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.5 150.69 4.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.281 -0.418 . . . . -10.0 111.481 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 72.52 158.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.974 -0.557 . . . . -10.0 111.766 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 174.22 22.52 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.065 -0.588 . . . . -10.0 112.714 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -155.2 152.93 26.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 120.653 0.263 . . . . -10.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.51 166.87 28.59 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.708 2.272 . . . . -10.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.33 51.46 0.76 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.161 -0.472 . . . . -10.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t 70.99 -66.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.116 -0.493 . . . . -10.0 111.897 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 80.31 -45.48 0.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.789 0.435 . . . . -10.0 111.984 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -54.45 3.87 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.849 0.315 . . . . -10.0 111.849 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 68.8 9.42 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.015 0.436 . . . . -10.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -105.12 -37.55 6.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.943 -0.571 . . . . -10.0 111.581 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -75.29 113.32 12.53 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.703 0.287 . . . . -10.0 110.796 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.91 31.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.51 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-N 116.487 -0.324 . . . . -10.0 111.54 -179.726 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.639 0.257 . . . . -10.0 111.253 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.65 -178.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.057 -0.52 . . . . -10.0 111.466 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.91 -72.03 0.17 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.925 -0.655 . . . . -10.0 112.681 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -145.37 163.4 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.808 0.337 . . . . -10.0 111.279 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.85 107.97 2.23 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.083 -0.579 . . . . -10.0 112.306 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.64 75.35 2.64 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.897 0.38 . . . . -10.0 111.42 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.0 -66.23 0.93 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.091 -0.504 . . . . -10.0 110.932 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.73 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 66.7 p -76.72 94.66 3.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.385 -0.371 . . . . -10.0 110.976 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -82.38 0.14 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.365 0.876 . . . . -10.0 113.365 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.27 -72.45 0.62 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.282 0.845 . . . . -10.0 113.282 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.35 6.45 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.422 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.73 ' HB3' ' HA ' ' A' ' 34' ' ' SER . 34.6 tt0 -48.69 -38.5 21.57 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.989 -0.551 . . . . -10.0 111.084 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.586 ' N ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -58.01 -56.54 20.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . -10.0 111.398 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -74.88 -38.74 61.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.564 -0.289 . . . . -10.0 111.655 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.15 94.48 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.233 -0.508 . . . . -10.0 112.942 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.69 51.28 1.85 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.758 0.313 . . . . -10.0 111.768 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -125.69 105.14 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.321 . . . . -10.0 110.762 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 m -103.05 82.7 2.12 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.298 -0.41 . . . . -10.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -131.04 105.2 7.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.151 -0.477 . . . . -10.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -132.46 148.49 52.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.28 -0.418 . . . . -10.0 111.265 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -103.39 132.92 49.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . -10.0 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.3 p -107.71 98.39 7.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.395 -0.366 . . . . -10.0 111.456 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.36 -174.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.141 -0.481 . . . . -10.0 111.702 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.77 -172.85 0.17 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.274 -0.421 . . . . -10.0 111.513 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . -10.0 110.957 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 112.629 -0.189 . . . . -10.0 112.629 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.07 130.24 2.86 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.854 -0.688 . . . . -10.0 112.74 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.23 95.11 1.79 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . -10.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.2 m-90 -139.86 141.02 36.65 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.212 -0.449 . . . . -10.0 111.023 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -79.53 97.67 6.54 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.243 -0.435 . . . . -10.0 110.789 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.69 112.32 19.14 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.5 . . . . -10.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 t -143.7 137.41 28.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.112 -0.495 . . . . -10.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -149.06 128.62 13.13 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . -10.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -128.08 146.62 33.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.2 -0.455 . . . . -10.0 111.242 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.09 137.08 53.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.19 111.92 0.51 Allowed Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.021 -0.609 . . . . -10.0 112.619 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' A' ' 15' ' ' ALA . 19.9 p-90 -145.49 147.62 34.09 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.652 0.263 . . . . -10.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.13 136.34 22.2 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.767 2.311 . . . . -10.0 112.762 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . . . -158.0 127.13 5.74 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.086 -0.506 . . . . -10.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 17' ' ' ARG . 3.4 p -128.24 -56.29 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 116.458 -0.337 . . . . -10.0 111.794 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' H ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER 177.75 152.08 0.25 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.863 0.363 . . . . -10.0 111.347 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.26 136.1 13.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.075 -0.511 . . . . -10.0 110.773 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.13 84.85 2.19 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.947 0.403 . . . . -10.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.48 129.05 44.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.168 -0.469 . . . . -10.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.89 122.9 8.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -172.7 4.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.04 -0.527 . . . . -10.0 110.862 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.9 53.82 1.38 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.085 0.469 . . . . -10.0 110.999 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -95.55 133.6 25.5 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 115.843 -0.617 . . . . -10.0 111.055 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 114.14 3.87 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.709 2.273 . . . . -10.0 112.457 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.23 136.38 36.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.155 -0.475 . . . . -10.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.12 126.52 38.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.222 -0.445 . . . . -10.0 111.196 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.53 173.62 6.47 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.157 -0.474 . . . . -10.0 111.239 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.44 -93.68 1.09 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.102 -0.571 . . . . -10.0 112.655 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.7 m -143.07 107.77 1.34 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.834 0.35 . . . . -10.0 111.286 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.16 58.05 0.71 Allowed Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.066 -0.588 . . . . -10.0 112.612 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -149.82 147.36 27.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.759 0.314 . . . . -10.0 111.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 136.93 47.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.19 -0.459 . . . . -10.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.23 76.41 0.71 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.095 -0.502 . . . . -10.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -57.5 4.15 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.162 -0.472 . . . . -10.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -35.91 75.68 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.357 -0.383 . . . . -10.0 111.2 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -37.44 40.77 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.621 0.248 . . . . -10.0 110.861 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -47.82 70.89 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.309 -0.405 . . . . -10.0 110.503 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -44.45 79.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.423 . . . . -10.0 111.57 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 43' ' ' ILE . 65.3 m-70 -72.55 -39.87 67.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.612 -0.267 . . . . -10.0 111.443 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.24 -36.55 59.88 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 121.132 -0.556 . . . . -10.0 113.323 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.16 39.79 1.14 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.153 0.427 . . . . -10.0 112.153 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 40' ' ' HIS . 2.9 tp -123.01 -37.76 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.418 HG23 HG23 ' A' ' 43' ' ' ILE . 4.6 p -122.86 164.38 18.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.734 0.302 . . . . -10.0 111.371 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -108.59 -51.35 2.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.293 -0.412 . . . . -10.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -115.02 89.52 3.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.888 0.375 . . . . -10.0 110.735 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.94 125.59 48.65 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.076 -0.511 . . . . -10.0 111.031 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m 58.87 55.0 4.79 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.103 -0.498 . . . . -10.0 111.245 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.47 142.14 30.45 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.081 -0.509 . . . . -10.0 111.297 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.91 151.62 30.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.172 -0.467 . . . . -10.0 111.213 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.2 p30 48.17 -163.27 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.996 -0.547 . . . . -10.0 111.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.79 166.44 24.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.787 0.327 . . . . -10.0 111.201 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' ALA . . . -70.0 140.02 52.85 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.173 -0.467 . . . . -10.0 111.3 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 53' ' ' ALA . . . 72.95 152.36 0.12 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.021 -0.536 . . . . -10.0 111.648 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.0 154.69 42.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.067 -0.515 . . . . -10.0 111.188 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.24 149.53 23.04 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.196 -0.456 . . . . -10.0 111.248 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.0 m95 68.89 -79.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.062 -0.517 . . . . -10.0 111.327 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 122.361 -0.212 . . . . -10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 112.645 -0.182 . . . . -10.0 112.645 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.01 -145.46 17.81 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.983 -0.627 . . . . -10.0 112.792 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.9 56.52 5.94 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.106 0.479 . . . . -10.0 111.135 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -106.89 177.55 4.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.948 -0.569 . . . . -10.0 111.089 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 65.33 55.23 1.09 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.977 0.417 . . . . -10.0 110.991 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -158.42 134.47 9.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.058 -0.519 . . . . -10.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.0 t -146.77 151.18 36.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.229 -0.442 . . . . -10.0 111.264 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -90.51 119.85 31.12 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.157 -0.474 . . . . -10.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.5 150.69 4.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.281 -0.418 . . . . -10.0 111.481 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 72.52 158.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.974 -0.557 . . . . -10.0 111.766 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 174.22 22.52 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.065 -0.588 . . . . -10.0 112.714 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.0 p90 -155.2 152.93 26.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-O 120.653 0.263 . . . . -10.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.51 166.87 28.59 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.708 2.272 . . . . -10.0 112.631 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.33 51.46 0.76 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.161 -0.472 . . . . -10.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t 70.99 -66.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 116.116 -0.493 . . . . -10.0 111.897 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 80.31 -45.48 0.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.789 0.435 . . . . -10.0 111.984 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.47 -54.45 3.87 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.849 0.315 . . . . -10.0 111.849 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 68.8 9.42 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.015 0.436 . . . . -10.0 110.902 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -105.12 -37.55 6.88 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.943 -0.571 . . . . -10.0 111.581 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -75.29 113.32 12.53 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.703 0.287 . . . . -10.0 110.796 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.91 31.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.184 -0.462 . . . . -10.0 111.51 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.62 121.52 13.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.487 -0.324 . . . . -10.0 111.54 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.3 132.28 24.26 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.131 -0.486 . . . . -10.0 110.8 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.09 67.9 5.01 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.688 2.259 . . . . -10.0 112.745 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.03 131.19 44.13 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.105 -0.498 . . . . -10.0 111.02 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.11 107.54 13.16 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.264 -0.425 . . . . -10.0 111.253 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.65 -178.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.057 -0.52 . . . . -10.0 111.466 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.91 -72.03 0.17 Allowed Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.925 -0.655 . . . . -10.0 112.681 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -145.37 163.4 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.808 0.337 . . . . -10.0 111.279 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.85 107.97 2.23 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.083 -0.579 . . . . -10.0 112.306 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.64 75.35 2.64 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.897 0.38 . . . . -10.0 111.42 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.0 -66.23 0.93 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.091 -0.504 . . . . -10.0 110.932 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.73 ' HA ' ' HB3' ' A' ' 38' ' ' GLU . 66.7 p -76.72 94.66 3.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.385 -0.371 . . . . -10.0 110.976 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.52 -82.38 0.14 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.365 0.876 . . . . -10.0 113.365 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -95.27 -72.45 0.62 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.282 0.845 . . . . -10.0 113.282 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.35 6.45 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.304 -0.407 . . . . -10.0 111.422 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.73 ' HB3' ' HA ' ' A' ' 34' ' ' SER . 34.6 tt0 -48.69 -38.5 21.57 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.989 -0.551 . . . . -10.0 111.084 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' N ' ' HB2' ' A' ' 34' ' ' SER . 0.0 OUTLIER -58.01 -56.54 20.75 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.23 -0.441 . . . . -10.0 111.398 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -74.88 -38.74 61.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.564 -0.289 . . . . -10.0 111.655 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.15 94.48 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.233 -0.508 . . . . -10.0 112.942 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.69 51.28 1.85 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.758 0.313 . . . . -10.0 111.768 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -125.69 105.14 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.775 0.321 . . . . -10.0 110.762 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.6 m -103.05 82.7 2.12 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.298 -0.41 . . . . -10.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -131.04 105.2 7.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.151 -0.477 . . . . -10.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -132.46 148.49 52.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.28 -0.418 . . . . -10.0 111.265 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -103.39 132.92 49.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.265 -0.425 . . . . -10.0 110.981 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.3 p -107.71 98.39 7.99 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.395 -0.366 . . . . -10.0 111.456 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 62.36 -174.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.141 -0.481 . . . . -10.0 111.702 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 63.77 -172.85 0.17 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.274 -0.421 . . . . -10.0 111.513 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -141.01 130.55 23.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . -10.0 110.957 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.79 -178.45 0.17 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.143 -0.48 . . . . -10.0 111.417 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.36 77.69 7.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.282 -0.417 . . . . -10.0 110.723 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.73 -84.11 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.752 -0.658 . . . . -10.0 111.522 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t 53.29 39.39 29.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.714 0.292 . . . . -10.0 111.642 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 57' ' ' TRP . . . -169.5 144.32 2.97 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 11.1 t90 68.67 140.4 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.144 0.497 . . . . 0.0 111.268 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.48 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_