data_2kto_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 2kto _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 ' 9' ' ' TRP . . . . . . . . . . . . . 65.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 72.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -48.46 -58.33 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 64.549999999999997 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -54.88 -37.19 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.040000000000006 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.131 -0.486 . . . . 74.329999999999998 111.118 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.823 0.344 . . . . 72.340000000000003 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.93 -47.72 37.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 72.239999999999995 112.473 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.549 0.214 . . . . 73.430000000000007 111.078 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 53.219999999999999 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.88 -47.15 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.129999999999995 110.848 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 7.0 mt -121.57 -48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 72.329999999999998 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.3 m -26.66 123.94 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 74.349999999999994 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 75.430000000000007 112.348 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 74.120000000000005 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -51.16 -55.61 16.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 111.138 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -54.52 -37.67 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 64.200000000000003 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.112 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.796 0.331 . . . . 72.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -48.12 39.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 54.329999999999998 112.527 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.235 0.297 0 CA-C-O 120.607 0.241 . . . . 71.439999999999998 111.091 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 74.310000000000002 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -84.99 -48.14 9.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.239999999999995 110.826 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.542 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -121.94 -49.38 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' C ' ' O ' ' A' ' 22' ' ' LEU . 80.4 m -25.64 124.15 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.683 0.754 . . . . 64.439999999999998 110.862 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo . . . . . 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 74.450000000000003 112.325 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.1 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 74.150000000000006 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m -51.38 -55.6 17.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.4 m -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.879 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.236 0.371 0 CA-C-N 116.176 -0.466 . . . . 74.109999999999999 111.127 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 75.0 111.079 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.4 -48.04 39.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 73.420000000000002 112.458 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.573 0.225 . . . . 71.310000000000002 111.072 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 71.120000000000005 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -85.11 -48.08 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.827 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.55 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.4 mt -121.99 -49.63 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.55 ' C ' ' O ' ' A' ' 22' ' ' LEU . 82.9 m -25.12 125.09 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.761 . . . . 74.109999999999999 110.876 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 73.219999999999999 112.33 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.4 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 74.540000000000006 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.0 m -51.87 -55.66 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.15 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.5 m -54.68 -37.49 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.236 0.35 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 111.18 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.832 0.348 . . . . 72.439999999999998 111.077 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.47 -48.08 38.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 52.009999999999998 112.495 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.592 0.235 . . . . 75.510000000000005 111.137 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.781 0.324 . . . . 63.509999999999998 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -85.08 -47.99 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.150000000000006 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -122.07 -49.02 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 71.230000000000004 110.925 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' LEU . 81.3 m -26.01 124.33 0.21 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.661 0.743 . . . . 73.239999999999995 110.867 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.239999999999995 112.362 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.5 m95 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.893 0.378 . . . . 74.319999999999993 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -51.63 -55.42 19.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 111.141 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.3 m -54.59 -37.83 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 71.209999999999994 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.236 0.343 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 111.114 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.805 0.336 . . . . 74.120000000000005 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.31 -48.14 39.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 72.140000000000001 112.474 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.58 0.228 . . . . 75.439999999999998 111.1 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 74.129999999999995 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -85.24 -47.96 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.540000000000006 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -122.13 -49.62 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.120000000000005 110.89 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' C ' ' O ' ' A' ' 22' ' ' LEU . 84.1 m -25.01 125.61 0.18 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.664 0.745 . . . . 73.109999999999999 110.852 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.297 . . . . 75.420000000000002 112.334 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.1 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 72.420000000000002 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.0 -54.3 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 74.420000000000002 111.139 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -54.61 -39.95 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 52.020000000000003 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--O 1.236 0.35 0 CA-C-N 116.124 -0.489 . . . . 71.140000000000001 111.113 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.884 0.373 . . . . 73.420000000000002 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -48.07 38.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 64.010000000000005 112.5 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.621 0.248 . . . . 73.109999999999999 111.153 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.753 0.311 . . . . 75.340000000000003 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -85.04 -48.13 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.200000000000003 110.875 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -121.91 -49.48 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.25 110.926 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' C ' ' O ' ' A' ' 22' ' ' LEU . 78.6 m -25.48 124.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 73.409999999999997 110.885 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 73.400000000000006 112.321 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.2 m95 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.826 0.346 . . . . 72.329999999999998 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 m -52.82 -54.67 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.209999999999994 111.136 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.8 m -54.63 -38.54 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.319999999999993 110.846 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--O 1.235 0.3 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 111.146 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.803 0.335 . . . . 33.340000000000003 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -47.79 39.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.679 -0.772 . . . . 70.329999999999998 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 C--O 1.236 0.364 0 CA-C-O 120.613 0.244 . . . . 72.409999999999997 111.125 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 75.329999999999998 111.062 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.73 -47.05 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 54.140000000000001 110.875 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.74 -48.9 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.549999999999997 110.902 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 22' ' ' LEU . 77.4 m -26.61 124.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 73.129999999999995 110.926 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 74.510000000000005 112.369 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.8 m95 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.817 0.341 . . . . 75.219999999999999 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -42.78 -65.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 111.14 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.4 m -54.59 -36.66 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.236 0.351 0 CA-C-N 116.137 -0.483 . . . . 73.540000000000006 111.156 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.826 0.346 . . . . 73.519999999999996 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.8 -47.47 32.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 44.329999999999998 112.524 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.589 0.233 . . . . 73.530000000000001 111.112 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.762 0.315 . . . . 74.040000000000006 111.099 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -84.87 -48.39 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 110.907 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.1 mt -121.22 -48.78 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 72.209999999999994 110.978 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.0 m -28.51 118.34 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 64.5 110.842 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 73.150000000000006 112.344 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.5 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 71.439999999999998 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.86 -56.97 13.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 71.019999999999996 111.144 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.8 m -54.53 -36.99 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--O 1.236 0.347 0 CA-C-N 116.163 -0.471 . . . . 75.230000000000004 111.15 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.801 0.334 . . . . 73.140000000000001 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.65 -48.02 37.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 52.340000000000003 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.631 0.253 . . . . 70.319999999999993 111.17 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -47.03 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.877 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.6 -48.9 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.239999999999995 110.919 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.3 m -26.94 123.6 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 74.329999999999998 110.865 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.549999999999997 112.373 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.84 0.352 . . . . 74.530000000000001 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 m -68.71 -58.43 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.299999999999997 111.164 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.51 -36.88 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.882 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.236 0.369 0 CA-C-N 116.151 -0.477 . . . . 73.140000000000001 111.117 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.871 0.367 . . . . 75.109999999999999 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -48.31 36.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 64.109999999999999 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.582 0.23 . . . . 75.329999999999998 111.127 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 73.120000000000005 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -85.09 -48.09 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.9 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -121.95 -49.48 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 22' ' ' LEU . 80.5 m -25.35 124.51 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.519999999999996 110.875 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 75.120000000000005 112.331 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.8 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.894 0.378 . . . . 73.329999999999998 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.8 m -47.84 -59.88 2.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 111.165 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -54.65 -37.1 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.109999999999999 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mt . . . . . 0 C--O 1.236 0.348 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 111.183 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.857 0.36 . . . . 74.219999999999999 111.091 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.02 -47.81 36.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 31.32 112.486 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.591 0.234 . . . . 63.310000000000002 111.1 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 72.150000000000006 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -47.12 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 110.861 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.54 -48.73 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 72.129999999999995 110.976 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 22' ' ' LEU . 74.6 m -26.98 123.84 0.23 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 74.310000000000002 110.886 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 65.109999999999999 112.395 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.3 m95 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.82 0.343 . . . . 73.510000000000005 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -56.96 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.129999999999995 111.157 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -54.43 -36.97 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.229999999999997 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.156 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.843 0.354 . . . . 61.109999999999999 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.82 37.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 73.140000000000001 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.585 0.231 . . . . 75.430000000000007 111.17 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 74.439999999999998 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -84.87 -48.43 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.230000000000004 110.856 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.0 mt -121.33 -49.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 70.430000000000007 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.7 m -27.86 119.0 0.26 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 71.25 110.906 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.254 . . . . 71.430000000000007 112.312 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 74.439999999999998 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 m -56.83 -64.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 73.310000000000002 111.172 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.2 m -54.56 -36.36 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 61.329999999999998 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.235 0.307 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.094 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.815 0.341 . . . . 72.540000000000006 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.83 -47.71 31.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 73.340000000000003 112.504 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.594 0.235 . . . . 74.409999999999997 111.109 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 63.539999999999999 111.073 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -47.1 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.010000000000005 110.857 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.58 -48.85 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.7 m -26.86 123.75 0.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 70.340000000000003 110.868 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 73.219999999999999 112.373 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.809 0.337 . . . . 74.439999999999998 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -56.94 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.040000000000006 111.165 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -54.34 -36.95 64.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.236 0.342 0 CA-C-N 116.122 -0.49 . . . . 74.129999999999995 111.169 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.868 0.366 . . . . 73.150000000000006 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.82 -48.08 36.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.706 -0.759 . . . . 64.120000000000005 112.453 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.565 0.222 . . . . 73.230000000000004 111.087 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 64.510000000000005 111.077 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 62.439999999999998 110.88 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.1 mt -121.24 -49.06 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.200000000000003 110.927 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.9 m -27.82 119.63 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 75.310000000000002 110.924 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.23 . . . . 72.219999999999999 112.367 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.6 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.35 . . . . 65.420000000000002 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -56.48 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 111.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 m -54.44 -36.48 64.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.109999999999999 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.236 0.368 0 CA-C-N 116.158 -0.473 . . . . 71.530000000000001 111.114 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.89 31.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 72.310000000000002 112.425 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.598 0.237 . . . . 75.310000000000002 111.141 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.801 0.334 . . . . 71.349999999999994 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.87 -47.05 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.882 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.55 -48.61 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.310000000000002 110.951 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.4 m -27.04 124.11 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 75.140000000000001 110.878 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 72.219999999999999 112.34 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.834 0.35 . . . . 73.329999999999998 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -62.4 -57.07 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.430000000000007 111.149 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.7 m -54.5 -36.9 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 111.115 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 75.25 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.94 37.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 74.209999999999994 112.479 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.597 0.237 . . . . 74.409999999999997 111.104 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.741 0.305 . . . . 74.129999999999995 111.093 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -47.01 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 62.509999999999998 110.868 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.65 -48.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.409999999999997 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.9 m -27.06 123.95 0.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 73.219999999999999 110.884 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 75.25 112.298 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.6 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.837 0.351 . . . . 71.230000000000004 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -62.68 -57.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.420000000000002 111.196 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -54.48 -36.99 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 110.865 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.235 0.337 0 CA-C-N 116.117 -0.492 . . . . 73.430000000000007 111.137 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 51.039999999999999 111.103 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.89 37.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 73.129999999999995 112.46 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.576 0.227 . . . . 75.549999999999997 111.114 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 55.409999999999997 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.69 -47.13 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 71.420000000000002 110.869 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.59 -48.86 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 74.109999999999999 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' LEU . 70.5 m -26.94 123.51 0.23 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 74.140000000000001 110.894 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.702 2.268 . . . . 72.450000000000003 112.332 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.841 0.353 . . . . 74.349999999999994 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.72 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 62.450000000000003 111.179 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -54.6 -36.39 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.108 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.86 0.362 . . . . 45.409999999999997 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.85 32.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 53.539999999999999 112.455 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.617 0.246 . . . . 73.299999999999997 111.12 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 63.340000000000003 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.72 -47.19 10.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 110.835 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.5 mt -121.43 -48.87 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 73.049999999999997 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' LEU . 69.8 m -27.02 123.45 0.23 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 73.439999999999998 110.908 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 71.430000000000007 112.341 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 58.3 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.86 0.362 . . . . 64.099999999999994 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -56.44 -64.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 75.430000000000007 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 m -54.48 -36.34 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 75.010000000000005 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.236 0.366 0 CA-C-N 116.168 -0.469 . . . . 64.109999999999999 111.12 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.8 0.333 . . . . 71.140000000000001 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.96 32.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 73.109999999999999 112.453 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.597 0.237 . . . . 75.519999999999996 111.139 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.779 0.323 . . . . 73.420000000000002 111.093 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.68 -47.17 10.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.120000000000005 110.837 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.42 -49.32 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 110.864 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 22' ' ' LEU . 68.3 m -26.66 122.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 74.010000000000005 110.905 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo . . . . . 0 C--O 1.232 0.221 0 C-N-CA 122.671 2.247 . . . . 62.119999999999997 112.324 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 74.319999999999993 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -51.54 -55.38 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.319999999999993 111.126 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.48 -37.97 65.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.236 0.385 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 111.15 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.803 0.335 . . . . 62.399999999999999 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.65 40.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 75.439999999999998 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.593 0.235 . . . . 71.340000000000003 111.131 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 72.299999999999997 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -84.97 -48.03 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.881 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.4 mt -121.96 -49.28 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 74.540000000000006 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.0 m -25.97 123.31 0.22 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 73.439999999999998 110.91 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 75.340000000000003 112.322 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.502 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.502 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 57.19 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.657 2.238 . . . . 74.120000000000005 112.359 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.15 64.82 8.9 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 111.081 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.556 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.556 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -54.92 -47.68 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 72.0 110.862 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -48.46 -58.33 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 64.549999999999997 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -54.88 -37.19 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.040000000000006 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.461 HG23 ' CG ' ' A' ' 13' ' ' DBU . 2.7 mt -62.65 -70.42 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.131 -0.486 . . . . 74.329999999999998 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.461 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.05 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 72.340000000000003 111.103 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.93 -47.72 37.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 72.239999999999995 112.473 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -50.11 -46.46 24.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.549 0.214 . . . . 73.430000000000007 111.078 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' SER . 36.9 t -72.01 -44.46 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.709 -0.678 . . . . 74.109999999999999 111.135 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.13 -1.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 53.219999999999999 111.143 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.88 -47.15 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.129999999999995 110.848 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 7.0 mt -121.57 -48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 72.329999999999998 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 71.3 m -26.66 123.94 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 74.349999999999994 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.03 134.49 23.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 75.430000000000007 112.348 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.574 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 2.86 25.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 73.549999999999997 110.875 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 4.6 p -85.26 61.14 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 62.439999999999998 110.886 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -35.65 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 55.549999999999997 110.847 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -132.5 -43.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 73.450000000000003 110.881 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.510000000000005 110.868 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 57.2 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 75.140000000000001 112.349 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.16 64.82 8.9 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.558 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.558 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -55.69 -48.97 74.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.465 -0.788 . . . . 74.120000000000005 110.948 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -51.16 -55.61 16.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 111.138 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -54.52 -37.67 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 64.200000000000003 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.68 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.112 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.54 89.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 72.0 111.085 -178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -48.12 39.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 54.329999999999998 112.527 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.67 -47.04 21.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.607 0.241 . . . . 71.439999999999998 111.091 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -72.21 -47.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.719 -0.673 . . . . 73.25 111.117 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.54 -2.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 74.310000000000002 111.079 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.2 m -84.99 -48.14 9.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.239999999999995 110.826 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -121.94 -49.38 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 80.4 m -25.64 124.15 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.683 0.754 . . . . 64.439999999999998 110.862 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 134.76 23.89 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 74.450000000000003 112.325 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.577 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.532 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 2.0 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 64.25 110.92 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.0 p -85.78 64.27 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 62.439999999999998 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -55.45 13.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 61.310000000000002 110.829 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 41.78 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 75.329999999999998 110.854 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.875 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.459 ' C1 ' ' CG ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.459 ' CG ' ' C1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 54.2 Cg_endo -69.73 57.09 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 74.25 112.357 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.59 -65.15 0.06 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.227 -0.442 . . . . 65.209999999999994 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.538 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.538 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.03 -50.38 73.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.466 -0.788 . . . . 74.150000000000006 110.933 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m -51.38 -55.6 17.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.4 m -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.879 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 HG23 ' CG ' ' A' ' 13' ' ' DBU . 12.7 mt -62.64 -71.54 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 116.176 -0.466 . . . . 74.109999999999999 111.127 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.429 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.63 88.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.774 -0.648 . . . . 75.0 111.079 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.4 -48.04 39.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 73.420000000000002 112.458 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -49.75 -46.84 22.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.573 0.225 . . . . 71.310000000000002 111.072 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -72.21 -47.41 53.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 70.319999999999993 111.145 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.5 -2.48 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.939 -0.573 . . . . 71.120000000000005 111.095 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.548 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.2 m -85.11 -48.08 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.827 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.55 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.4 mt -121.99 -49.63 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 82.9 m -25.12 125.09 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.761 . . . . 74.109999999999999 110.876 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.96 133.85 23.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 73.219999999999999 112.33 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.575 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.529 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.43 6.19 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.734 -0.666 . . . . 75.420000000000002 110.928 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 2.2 p -86.07 65.07 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.400000000000006 110.867 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -57.85 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 74.049999999999997 110.884 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -120.28 42.58 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 73.129999999999995 110.861 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 72.109999999999999 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.444 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.444 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.74 57.14 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 72.219999999999999 112.333 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.7 -65.14 0.06 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.24 -0.436 . . . . 74.5 111.088 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.53 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.53 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -55.78 -47.5 76.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 74.540000000000006 110.963 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.0 m -51.87 -55.66 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.15 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.5 m -54.68 -37.49 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 111.18 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.64 88.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 72.439999999999998 111.077 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.47 -48.08 38.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 52.009999999999998 112.495 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -49.58 -46.89 21.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.592 0.235 . . . . 75.510000000000005 111.137 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.18 -47.28 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.658 . . . . 73.310000000000002 111.115 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.49 -2.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 63.509999999999998 111.117 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.2 m -85.08 -47.99 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.150000000000006 110.896 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -122.07 -49.02 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 71.230000000000004 110.925 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 81.3 m -26.01 124.33 0.21 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.661 0.743 . . . . 73.239999999999995 110.867 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.93 134.61 23.43 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.239999999999995 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.577 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.531 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 3.97 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.756 -0.656 . . . . 75.209999999999994 110.875 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.5 p -85.95 65.28 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 71.349999999999994 110.833 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -58.42 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 74.540000000000006 110.828 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -119.8 42.08 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 74.400000000000006 110.827 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.219999999999999 110.867 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.516 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.516 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.79 57.18 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 70.430000000000007 112.355 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.64 -65.21 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.219 -0.446 . . . . 70.409999999999997 111.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.47 ' CG ' ' HB ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -56.41 -49.4 74.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.524 -0.762 . . . . 74.319999999999993 110.916 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -51.63 -55.42 19.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 111.141 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.3 m -54.59 -37.83 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 71.209999999999994 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 13' ' ' DBU . 13.6 mt -62.56 -71.53 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.43 ' N ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.61 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.74 -0.664 . . . . 74.120000000000005 111.124 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.31 -48.14 39.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 72.140000000000001 112.474 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.72 -46.89 22.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.58 0.228 . . . . 75.439999999999998 111.1 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.22 -47.37 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 73.120000000000005 111.144 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.6 -2.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 74.129999999999995 111.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.546 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.2 m -85.24 -47.96 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.540000000000006 110.894 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -122.13 -49.62 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.120000000000005 110.89 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 84.1 m -25.01 125.61 0.18 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.664 0.745 . . . . 73.109999999999999 110.852 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.98 133.56 23.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.297 . . . . 75.420000000000002 112.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.565 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.532 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.72 7.8 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 74.420000000000002 110.913 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.8 p -86.14 64.75 8.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 52.530000000000001 110.853 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -59.63 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 70.019999999999996 110.84 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 3.5 ptm85 -119.94 42.49 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 71.230000000000004 110.846 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.120000000000005 110.831 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.43 ' C1 ' ' CG ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.43 ' CG ' ' C1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 57.2 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.646 2.231 . . . . 75.219999999999999 112.33 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.16 64.8 8.88 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.187 -0.46 . . . . 71.329999999999998 111.087 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.583 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.583 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -54.95 -59.98 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 72.420000000000002 110.96 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.0 -54.3 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 74.420000000000002 111.139 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -54.61 -39.95 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 52.020000000000003 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.57 -71.13 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.124 -0.489 . . . . 71.140000000000001 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.38 90.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.752 -0.658 . . . . 73.420000000000002 111.106 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -48.07 38.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 64.010000000000005 112.5 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.64 -46.92 21.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.621 0.248 . . . . 73.109999999999999 111.153 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.15 -47.45 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 74.409999999999997 111.145 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.582 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.47 -2.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 75.340000000000003 111.146 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.2 m -85.04 -48.13 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.200000000000003 110.875 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -121.91 -49.48 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.25 110.926 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 78.6 m -25.48 124.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 73.409999999999997 110.885 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.03 134.79 24.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 73.400000000000006 112.321 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.576 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.527 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -104.47 1.89 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 74.109999999999999 110.889 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.0 p -85.56 63.63 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 74.230000000000004 110.932 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -55.47 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 65.150000000000006 110.917 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.582 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 15.9 ttm-85 -121.46 42.96 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 70.349999999999994 110.88 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.77 57.2 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 74.319999999999993 112.379 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.57 -65.15 0.06 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.129 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.457 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.457 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -59.75 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.469 -0.787 . . . . 72.329999999999998 110.926 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 m -52.82 -54.67 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.209999999999994 111.136 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.8 m -54.63 -38.54 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.319999999999993 110.846 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mt -62.65 -71.36 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 33.340000000000003 111.105 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -47.79 39.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.679 -0.772 . . . . 70.329999999999998 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -50.05 -46.33 23.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 120.613 0.244 . . . . 72.409999999999997 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -71.96 -44.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 74.430000000000007 111.098 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.05 -2.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 75.329999999999998 111.062 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.73 -47.05 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 54.140000000000001 110.875 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.74 -48.9 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.549999999999997 110.902 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 77.4 m -26.61 124.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 73.129999999999995 110.926 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.93 133.54 22.98 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 74.510000000000005 112.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.552 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.531 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.52 9.73 12.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.741 -0.663 . . . . 72.209999999999994 110.922 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.6 p -86.52 65.52 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.299999999999997 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -59.37 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 75.040000000000006 110.861 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -118.87 43.37 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 73.010000000000005 110.875 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.897 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.4 Cg_endo -69.74 57.08 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 73.129999999999995 112.35 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.65 -64.98 0.06 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.238 -0.437 . . . . 71.120000000000005 111.071 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -54.62 -47.67 73.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.496 -0.775 . . . . 75.219999999999999 110.932 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -42.78 -65.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 111.14 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.4 m -54.59 -36.66 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG23 ' CG ' ' A' ' 13' ' ' DBU . 11.3 mt -62.7 -68.2 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.137 -0.483 . . . . 73.540000000000006 111.156 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.455 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.76 89.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 73.519999999999996 111.092 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.8 -47.47 32.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 44.329999999999998 112.524 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.589 0.233 . . . . 73.530000000000001 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.75 -47.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.739 -0.664 . . . . 74.150000000000006 111.135 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.83 -2.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.963 -0.562 . . . . 74.040000000000006 111.099 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.6 m -84.87 -48.39 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 110.907 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.1 mt -121.22 -48.78 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 72.209999999999994 110.978 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 62.0 m -28.51 118.34 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 64.5 110.842 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.01 141.52 17.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 73.150000000000006 112.344 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.483 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.554 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -124.55 -10.0 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 71.239999999999995 110.938 -178.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 7.4 p -85.57 63.32 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 110.862 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -64.34 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 72.25 110.863 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' CYS . 12.2 ttp180 -133.77 -43.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.540000000000006 110.869 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 110.886 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 57.2 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 72.340000000000003 112.348 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.22 64.83 8.89 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.167 -0.47 . . . . 70.310000000000002 111.048 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.496 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -57.22 -36.16 70.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 71.439999999999998 110.917 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.86 -56.97 13.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 71.019999999999996 111.144 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.8 m -54.53 -36.99 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -62.61 -71.28 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.163 -0.471 . . . . 75.230000000000004 111.15 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 73.140000000000001 111.08 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.65 -48.02 37.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 52.340000000000003 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.06 -46.34 23.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.631 0.253 . . . . 70.319999999999993 111.17 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.2 t -71.91 -44.27 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.75 -0.659 . . . . 73.420000000000002 111.122 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.04 -2.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 75.409999999999997 111.113 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.74 -47.03 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.200000000000003 110.877 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.6 -48.9 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.239999999999995 110.919 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 71.3 m -26.94 123.6 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 74.329999999999998 110.865 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.91 134.63 23.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.549999999999997 112.373 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.57 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.14 2.47 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 72.25 110.925 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.2 p -85.31 61.67 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 110.94 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.53 74.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 71.109999999999999 110.873 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 32' ' ' CYS . 29.2 ttt180 -134.86 -43.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.310000000000002 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.430000000000007 110.924 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.457 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.457 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 54.0 Cg_endo -69.74 57.15 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 73.409999999999997 112.37 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.65 -65.15 0.06 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.193 -0.458 . . . . 73.439999999999998 111.126 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 13' ' ' DBU . 1.7 t-105 -61.7 -29.38 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.484 -0.78 . . . . 74.530000000000001 110.897 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 m -68.71 -58.43 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.299999999999997 111.164 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.51 -36.88 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.882 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt -62.63 -70.71 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.151 -0.477 . . . . 73.140000000000001 111.117 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 9' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.2 89.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.771 -0.649 . . . . 75.109999999999999 111.137 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -48.31 36.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 64.109999999999999 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.64 -46.9 21.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 120.582 0.23 . . . . 75.329999999999998 111.127 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.17 -47.46 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.69 -0.686 . . . . 70.019999999999996 111.111 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.582 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.52 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.59 -2.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 73.120000000000005 111.087 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.2 m -85.09 -48.09 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.9 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.3 mt -121.95 -49.48 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 80.5 m -25.35 124.51 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.519999999999996 110.875 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.98 134.25 23.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 75.120000000000005 112.331 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.573 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.83 3.72 22.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.721 -0.672 . . . . 74.310000000000002 110.891 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.8 p -85.47 61.23 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 62.310000000000002 110.854 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -35.05 79.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 55.140000000000001 110.86 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -132.47 -43.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.879 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.450000000000003 110.851 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 57.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 73.450000000000003 112.373 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.19 64.81 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.23 -0.441 . . . . 72.120000000000005 111.089 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.527 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -54.77 -47.04 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.482 -0.781 . . . . 73.329999999999998 110.96 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.8 m -47.84 -59.88 2.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.109999999999999 111.165 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -54.65 -37.1 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.109999999999999 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mt -62.56 -69.95 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 111.183 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.98 90.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.754 -0.657 . . . . 74.219999999999999 111.091 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.02 -47.81 36.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 31.32 112.486 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t -50.09 -46.27 24.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.591 0.234 . . . . 63.310000000000002 111.1 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -71.92 -44.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 64.209999999999994 111.099 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.533 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.06 -2.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 72.150000000000006 111.112 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.526 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.75 -47.12 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 110.861 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.54 -48.73 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 72.129999999999995 110.976 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 74.6 m -26.98 123.84 0.23 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 74.310000000000002 110.886 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.97 134.26 23.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 65.109999999999999 112.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.578 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.533 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -108.57 4.04 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 75.129999999999995 110.913 -178.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.8 p -85.62 62.3 7.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.209999999999994 110.867 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -34.81 78.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 70.109999999999999 110.846 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' CYS . 7.8 ttp-105 -133.68 -43.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 73.420000000000002 110.856 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.519999999999996 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.78 57.25 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 71.400000000000006 112.334 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 84.61 -65.12 0.06 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.189 -0.459 . . . . 61.149999999999999 111.088 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -59.13 -38.5 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.499 -0.773 . . . . 73.510000000000005 110.908 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -56.96 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.129999999999995 111.157 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -54.43 -36.97 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.229999999999997 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.454 HG23 ' CG ' ' A' ' 13' ' ' DBU . 11.3 mt -62.58 -71.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.156 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.454 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.43 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 61.109999999999999 111.084 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.82 37.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 73.140000000000001 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.85 -46.71 22.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 120.585 0.231 . . . . 75.430000000000007 111.17 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.66 -47.7 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 74.239999999999995 111.114 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.554 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.62 -2.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.983 -0.553 . . . . 74.439999999999998 111.083 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.6 m -84.87 -48.43 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.230000000000004 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.0 mt -121.33 -49.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 70.430000000000007 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 62.7 m -27.86 119.0 0.26 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 71.25 110.906 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.04 141.18 17.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.254 . . . . 71.430000000000007 112.312 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.472 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.554 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 25' ' ' DBB . 12.2 ptpt -128.1 -8.85 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 73.010000000000005 110.885 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.6 p -86.15 65.09 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.219999999999999 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -58.45 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 64.239999999999995 110.833 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.01 42.18 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.89 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 65.530000000000001 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.456 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.85 57.23 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 72.439999999999998 112.322 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 85.05 -64.63 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.215 -0.448 . . . . 70.239999999999995 111.145 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.444 ' CG ' ' HB ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.437 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . 0.416 ' O ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -54.66 -34.06 61.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 74.439999999999998 110.951 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 m -56.83 -64.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 73.310000000000002 111.172 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.2 m -54.56 -36.36 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 61.329999999999998 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt -62.62 -68.22 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.094 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.34 90.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.727 -0.67 . . . . 72.540000000000006 111.091 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.83 -47.71 31.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 73.340000000000003 112.504 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.21 -46.38 24.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.594 0.235 . . . . 74.409999999999997 111.109 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.0 t -71.96 -44.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 71.310000000000002 111.144 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.09 -2.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.956 -0.565 . . . . 63.539999999999999 111.073 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.8 -47.1 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.010000000000005 110.857 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.58 -48.85 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 75.109999999999999 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 71.7 m -26.86 123.75 0.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 70.340000000000003 110.868 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.96 134.52 23.56 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 73.219999999999999 112.373 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.568 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.535 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.67 2.94 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.717 -0.674 . . . . 74.340000000000003 110.916 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 4.4 p -85.31 61.9 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 53.109999999999999 110.861 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 72.439999999999998 110.855 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 32' ' ' CYS . 10.9 ttp85 -135.25 -43.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.927 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 74.340000000000003 110.915 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.549 ' O3 ' ' CD1' ' A' ' 9' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.508 ' HG3' ' C1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 54.1 Cg_endo -69.66 57.14 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.258 . . . . 71.409999999999997 112.378 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.16 64.81 8.89 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.234 -0.439 . . . . 73.319999999999993 111.115 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CD1' ' O3 ' ' A' ' 1' ' ' 2KT . 84.8 m95 -56.51 -38.66 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 74.439999999999998 110.918 175.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -56.94 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.040000000000006 111.165 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -54.34 -36.95 64.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.435 HG23 ' CG ' ' A' ' 13' ' ' DBU . 11.1 mt -62.59 -71.43 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.122 -0.49 . . . . 74.129999999999995 111.169 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.435 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.19 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 73.150000000000006 111.132 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.82 -48.08 36.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.706 -0.759 . . . . 64.120000000000005 112.453 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -49.96 -46.4 23.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.565 0.222 . . . . 73.230000000000004 111.087 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.66 -47.4 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.645 . . . . 64.439999999999998 111.129 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.78 -2.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.557 . . . . 64.510000000000005 111.077 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.525 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.3 m -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 62.439999999999998 110.88 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.1 mt -121.24 -49.06 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.200000000000003 110.927 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 62.9 m -27.82 119.63 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 75.310000000000002 110.924 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.93 140.53 18.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.23 . . . . 72.219999999999999 112.367 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.503 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.545 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 -6.5 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 73.329999999999998 110.878 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.9 p -86.39 67.33 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.510000000000005 110.847 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' C ' ' A' ' 26' ' ' DBU . 0.1 OUTLIER -67.53 -57.66 6.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 61.229999999999997 110.845 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.583 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.1 ttp180 -119.6 42.63 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.88 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.46 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.46 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 57.14 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 72.150000000000006 112.353 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.655 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.2 66.65 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.299999999999997 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.655 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.435 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.04 -35.1 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.795 . . . . 65.420000000000002 110.902 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -56.48 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 111.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 m -54.44 -36.48 64.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.109999999999999 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -62.56 -68.48 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.158 -0.473 . . . . 71.530000000000001 111.114 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.27 91.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 74.310000000000002 111.081 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.89 31.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 72.310000000000002 112.425 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.23 -46.08 24.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.598 0.237 . . . . 75.310000000000002 111.141 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.6 t -71.91 -44.19 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 73.099999999999994 111.156 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.18 -1.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 71.349999999999994 111.118 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.528 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.87 -47.05 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.882 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.55 -48.61 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.310000000000002 110.951 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 75.4 m -27.04 124.11 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 75.140000000000001 110.878 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.93 133.91 23.12 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 72.219999999999999 112.34 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.564 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -114.43 7.11 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.763 -0.653 . . . . 74.439999999999998 110.881 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.8 p -86.04 64.21 8.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -48.99 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 72.430000000000007 110.829 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.2 -35.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.864 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.595 ' C ' ' H ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.7 Cg_endo -69.78 16.24 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.68 2.253 . . . . 75.420000000000002 112.363 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 2' ' ' DBU . . . 84.6 -65.12 0.06 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.234 -0.439 . . . . 62.439999999999998 111.099 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.491 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.491 ' CG ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -57.37 -35.58 70.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.449 -0.796 . . . . 73.329999999999998 110.925 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -62.4 -57.07 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.430000000000007 111.149 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.7 m -54.5 -36.9 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.409 HG23 ' CG ' ' A' ' 13' ' ' DBU . 11.3 mt -62.68 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 111.115 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.409 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.3 88.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.716 -0.675 . . . . 75.25 111.097 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.94 37.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 74.209999999999994 112.479 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -50.05 -46.38 23.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.597 0.237 . . . . 74.409999999999997 111.104 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.4 t -71.83 -44.2 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.753 -0.658 . . . . 54.409999999999997 111.133 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.603 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.01 -2.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.537 . . . . 74.129999999999995 111.093 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.86 -47.01 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 62.509999999999998 110.868 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.65 -48.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.409999999999997 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 75.9 m -27.06 123.95 0.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 73.219999999999999 110.884 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.97 134.2 23.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 75.25 112.298 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.566 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.528 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 5.1 20.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.679 . . . . 75.099999999999994 110.928 -178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 2.9 p -85.86 63.54 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 74.150000000000006 110.872 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -59.61 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 63.020000000000003 110.879 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 3.5 ptm85 -120.34 42.29 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 75.540000000000006 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.437 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 53.1 Cg_endo -69.84 57.16 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 75.5 112.305 -178.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.21 64.8 8.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.199 -0.455 . . . . 71.239999999999995 111.089 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.548 ' O ' ' C ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.548 ' C ' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -58.37 -35.45 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 71.230000000000004 110.937 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -62.68 -57.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.420000000000002 111.196 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -54.48 -36.99 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.340000000000003 110.865 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 HG23 ' CG ' ' A' ' 13' ' ' DBU . 11.0 mt -62.66 -71.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.117 -0.492 . . . . 73.430000000000007 111.137 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.401 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.21 88.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 51.039999999999999 111.103 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.89 37.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 73.129999999999995 112.46 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.14 -46.36 24.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.576 0.227 . . . . 75.549999999999997 111.114 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.3 t -71.91 -44.44 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 71.409999999999997 111.127 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.61 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.06 -2.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 55.409999999999997 111.055 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.512 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.69 -47.13 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 71.420000000000002 110.869 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.59 -48.86 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 74.109999999999999 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 70.5 m -26.94 123.51 0.23 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 74.140000000000001 110.894 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 134.79 23.63 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.702 2.268 . . . . 72.450000000000003 112.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.571 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.535 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 2.02 29.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 73.409999999999997 110.868 -178.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.9 p -85.48 63.92 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 62.310000000000002 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 72.340000000000003 110.86 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.561 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 15.0 ttm180 -120.96 42.95 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.833 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.899 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . 0.408 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.78 57.11 1.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.68 2.254 . . . . 71.040000000000006 112.351 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 85.17 -64.66 0.06 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.203 -0.453 . . . . 71.109999999999999 111.092 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.448 ' C ' ' H ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.448 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -54.66 -35.2 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 74.349999999999994 110.92 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.72 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 62.450000000000003 111.179 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -54.6 -36.39 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.6 -68.28 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.108 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.33 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 45.409999999999997 111.112 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.85 32.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 53.539999999999999 112.455 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -50.17 -46.22 24.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 120.617 0.246 . . . . 73.299999999999997 111.12 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.9 t -71.92 -44.21 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 74.019999999999996 111.11 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.605 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.13 -2.16 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 63.340000000000003 111.114 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.72 -47.19 10.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 110.835 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.5 mt -121.43 -48.87 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 73.049999999999997 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 69.8 m -27.02 123.45 0.23 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 73.439999999999998 110.908 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -47.97 134.84 23.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 71.430000000000007 112.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.569 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.54 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 2.32 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.721 -0.672 . . . . 71.109999999999999 110.878 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.7 p -85.61 64.12 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.030000000000001 110.864 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -56.41 9.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 73.120000000000005 110.885 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -121.01 43.27 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.439999999999998 110.875 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 70.400000000000006 110.924 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 57.2 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 70.25 112.318 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.654 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.14 66.41 9.72 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.219 -0.446 . . . . 60.100000000000001 111.162 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.654 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.432 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -55.09 -35.05 64.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.452 -0.794 . . . . 64.099999999999994 110.917 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -56.44 -64.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 75.430000000000007 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 m -54.48 -36.34 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 75.010000000000005 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 13' ' ' DBU . 12.2 mt -62.65 -68.54 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.168 -0.469 . . . . 64.109999999999999 111.12 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.414 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.38 90.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 71.140000000000001 111.048 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.96 32.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 73.109999999999999 112.453 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -50.21 -46.26 24.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 120.597 0.237 . . . . 75.519999999999996 111.139 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -72.07 -44.28 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.731 -0.668 . . . . 71.109999999999999 111.135 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -64.19 -2.18 1.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 73.420000000000002 111.093 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.68 -47.17 10.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.120000000000005 110.837 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.42 -49.32 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 110.864 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 68.3 m -26.66 122.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 74.010000000000005 110.905 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.95 135.51 23.5 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.671 2.247 . . . . 62.119999999999997 112.324 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.583 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.527 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -97.19 -1.04 45.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 71.409999999999997 110.892 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 12.1 p -85.34 63.66 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.872 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -54.86 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 75.109999999999999 110.847 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' DBU . 0.1 OUTLIER -122.8 41.54 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.85 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.912 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 53.6 Cg_endo -69.77 56.95 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 73.310000000000002 112.352 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 3' ' ' PRO . . . 79.09 -67.31 0.16 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.681 ' C ' ' H ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DAL . . . . . 0.681 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -57.84 -48.84 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.462 -0.79 . . . . 74.319999999999993 110.893 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -51.54 -55.38 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.319999999999993 111.126 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.48 -37.97 65.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 HG23 ' CG ' ' A' ' 13' ' ' DBU . 16.7 mt -62.65 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 111.15 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' DBU . . . . . 0.418 ' CG ' HG23 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.83 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.74 -0.664 . . . . 62.399999999999999 111.082 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.65 40.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 75.439999999999998 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -49.65 -47.2 21.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.593 0.235 . . . . 71.340000000000003 111.131 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.31 -47.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.759 -0.655 . . . . 62.210000000000001 111.107 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' DAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HA ' ' CG ' ' A' ' 26' ' ' DBU . . . -62.51 -2.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 72.299999999999997 111.1 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 19' ' ' DAL . 4.1 m -84.97 -48.03 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.881 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' CYS . 5.4 mt -121.96 -49.28 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 74.540000000000006 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 19' ' ' DAL . 75.0 m -25.97 123.31 0.22 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 73.439999999999998 110.91 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.97 135.51 23.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 75.340000000000003 112.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' DBB . . . . . 0.572 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' DBU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -117.81 1.19 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 71.329999999999998 110.943 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.572 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.3 p -85.79 63.64 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.884 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' C ' ' A' ' 26' ' ' DBU . 0.0 OUTLIER -55.1 -43.78 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 74.230000000000004 110.837 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -131.84 -37.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.530000000000001 110.93 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.918 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 71.23 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -48.46 -58.33 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 55.43 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -54.88 -37.19 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.118 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.823 0.344 . . . . 72.34 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.93 -47.72 37.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.473 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.549 0.214 . . . . 53.21 111.078 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 53.22 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.88 -47.15 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.848 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 7.0 mt -121.57 -48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 72.33 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.3 m -26.66 123.94 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 73.43 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 74.23 112.348 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 72.54 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -51.16 -55.61 16.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.32 111.138 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -54.52 -37.67 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 61.32 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.112 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.796 0.331 . . . . 53.42 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -48.12 39.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 54.33 112.527 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.235 0.297 0 CA-C-O 120.607 0.241 . . . . 65.34 111.091 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 63.24 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.687 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -84.99 -48.14 9.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.826 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.94 -49.38 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' C ' ' O ' ' A' ' 22' ' ' LEU . 80.4 m -25.64 124.15 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.683 0.754 . . . . 64.03 110.862 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo . . . . . 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 74.45 112.325 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.1 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 73.32 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m -51.38 -55.6 17.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 54.51 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.4 m -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.879 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.236 0.371 0 CA-C-N 116.176 -0.466 . . . . 62.35 111.127 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 72.41 111.079 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.4 -48.04 39.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 61.24 112.458 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.573 0.225 . . . . 64.31 111.072 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 71.12 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.69 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.11 -48.08 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.827 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.99 -49.63 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.55 ' C ' ' O ' ' A' ' 22' ' ' LEU . 82.9 m -25.12 125.09 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.761 . . . . 74.11 110.876 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 73.22 112.33 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.4 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 73.33 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.0 m -51.87 -55.66 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.15 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.5 m -54.68 -37.49 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.236 0.35 0 CA-C-N 116.163 -0.471 . . . . 74.42 111.18 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.832 0.348 . . . . 60.14 111.077 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.47 -48.08 38.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 42.03 112.495 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.592 0.235 . . . . 63.32 111.137 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.781 0.324 . . . . 63.51 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.08 -47.99 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.896 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.07 -49.02 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.925 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' LEU . 81.3 m -26.01 124.33 0.21 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.661 0.743 . . . . 71.14 110.867 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.11 112.362 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.5 m95 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.893 0.378 . . . . 74.32 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -51.63 -55.42 19.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 72.41 111.141 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.3 m -54.59 -37.83 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 71.21 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.236 0.343 0 CA-C-N 116.163 -0.471 . . . . 71.14 111.114 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.805 0.336 . . . . 74.12 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.31 -48.14 39.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 70.12 112.474 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.58 0.228 . . . . 65.2 111.1 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 41.33 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.695 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.24 -47.96 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.894 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.13 -49.62 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.89 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' C ' ' O ' ' A' ' 22' ' ' LEU . 84.1 m -25.01 125.61 0.18 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.664 0.745 . . . . 52.2 110.852 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.297 . . . . 75.42 112.334 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.1 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 52.3 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.0 -54.3 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.139 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -54.61 -39.95 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 52.02 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--O 1.236 0.35 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.113 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.884 0.373 . . . . 73.42 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -48.07 38.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 64.01 112.5 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.621 0.248 . . . . 72.24 111.153 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.753 0.311 . . . . 75.34 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.682 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.04 -48.13 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.2 110.875 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.91 -49.48 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 61.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' C ' ' O ' ' A' ' 22' ' ' LEU . 78.6 m -25.48 124.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 73.41 110.885 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 73.4 112.321 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.2 m95 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.826 0.346 . . . . 72.13 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 m -52.82 -54.67 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.21 111.136 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.8 m -54.63 -38.54 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 52.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--O 1.235 0.3 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.146 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.803 0.335 . . . . 24.41 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -47.79 39.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.679 -0.772 . . . . 63.34 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 C--O 1.236 0.364 0 CA-C-O 120.613 0.244 . . . . 72.2 111.125 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 63.31 111.062 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.435 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.73 -47.05 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 43.13 110.875 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.74 -48.9 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.902 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 22' ' ' LEU . 77.4 m -26.61 124.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 73.13 110.926 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 74.51 112.369 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.8 m95 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.817 0.341 . . . . 73.44 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -42.78 -65.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 65.55 111.14 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.4 m -54.59 -36.66 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.3 mt . . . . . 0 C--O 1.236 0.351 0 CA-C-N 116.137 -0.483 . . . . 73.54 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.826 0.346 . . . . 71.22 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.8 -47.47 32.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 44.33 112.524 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 12' ' ' ILE . 53.3 t . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.589 0.233 . . . . 73.53 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.762 0.315 . . . . 62.02 111.099 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.667 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.39 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.907 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.22 -48.78 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.978 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.0 m -28.51 118.34 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 64.5 110.842 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.35 112.344 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.5 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 71.44 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.86 -56.97 13.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 61.43 111.144 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.8 m -54.53 -36.99 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--O 1.236 0.347 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.15 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.801 0.334 . . . . 72.24 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.65 -48.02 37.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 52.34 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.631 0.253 . . . . 70.32 111.17 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 75.14 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.428 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.74 -47.03 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.2 110.877 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.6 -48.9 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.24 110.919 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.3 m -26.94 123.6 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 74.33 110.865 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.55 112.373 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.84 0.352 . . . . 74.53 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 m -68.71 -58.43 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.164 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.51 -36.88 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.882 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.236 0.369 0 CA-C-N 116.151 -0.477 . . . . 73.14 111.117 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.871 0.367 . . . . 72.03 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -48.31 36.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 64.11 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.582 0.23 . . . . 71.33 111.127 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 73.12 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.686 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.09 -48.09 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.9 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.95 -49.48 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 72.44 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 22' ' ' LEU . 80.5 m -25.35 124.51 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.52 110.875 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 72.22 112.331 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.8 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.894 0.378 . . . . 73.22 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.8 m -47.84 -59.88 2.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.165 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -54.65 -37.1 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mt . . . . . 0 C--O 1.236 0.348 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.183 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.857 0.36 . . . . 73.32 111.091 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.02 -47.81 36.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 24.21 112.486 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.591 0.234 . . . . 54.23 111.1 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 72.15 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.453 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.75 -47.12 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.861 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.54 -48.73 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.976 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 22' ' ' LEU . 74.6 m -26.98 123.84 0.23 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 74.31 110.886 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 65.11 112.395 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.3 m95 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.82 0.343 . . . . 73.51 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -56.96 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.157 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -54.43 -36.97 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.23 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.156 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.843 0.354 . . . . 61.11 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.82 37.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 73.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.585 0.231 . . . . 75.43 111.17 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 74.44 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.68 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.43 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.23 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 21' ' ' SER . 5.0 mt -121.33 -49.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 70.05 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.7 m -27.86 119.0 0.26 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 60.12 110.906 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.254 . . . . 71.43 112.312 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 74.44 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 m -56.83 -64.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.172 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.2 m -54.56 -36.36 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 61.33 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.235 0.307 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.094 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.815 0.341 . . . . 72.54 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.83 -47.71 31.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 42.51 112.504 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.594 0.235 . . . . 72.2 111.109 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 63.54 111.073 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.8 -47.1 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.01 110.857 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.58 -48.85 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.7 m -26.86 123.75 0.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 43.33 110.868 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 73.22 112.373 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.809 0.337 . . . . 71.14 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -56.94 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.04 111.165 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -54.34 -36.95 64.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.236 0.342 0 CA-C-N 116.122 -0.49 . . . . 74.1 111.169 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.868 0.366 . . . . 64.03 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.82 -48.08 36.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.706 -0.759 . . . . 64.12 112.453 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.565 0.222 . . . . 73.02 111.087 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 63.15 111.077 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.662 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.3 m -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.88 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.24 -49.06 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.2 110.927 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.9 m -27.82 119.63 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 63.14 110.924 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.23 . . . . 64.22 112.367 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.6 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.35 . . . . 64.33 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -56.48 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 m -54.44 -36.48 64.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.236 0.368 0 CA-C-N 116.158 -0.473 . . . . 71.23 111.114 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.848 0.356 . . . . 74.31 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.89 31.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 72.31 112.425 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.598 0.237 . . . . 75.31 111.141 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.801 0.334 . . . . 63.32 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.87 -47.05 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.882 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.55 -48.61 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.951 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.4 m -27.04 124.11 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 75.14 110.878 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 72.22 112.34 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.834 0.35 . . . . 73.33 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -62.4 -57.07 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 62.21 111.149 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.7 m -54.5 -36.9 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-N 116.155 -0.475 . . . . 62.11 111.115 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 75.25 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.94 37.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 72.42 112.479 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.597 0.237 . . . . 74.41 111.104 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.741 0.305 . . . . 73.0 111.093 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.441 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.86 -47.01 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 51.12 110.868 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.65 -48.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.3 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.9 m -27.06 123.95 0.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 73.22 110.884 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 73.02 112.298 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.6 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.837 0.351 . . . . 71.23 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -62.68 -57.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.196 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -54.48 -36.99 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.865 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.235 0.337 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.137 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 43.01 111.103 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.89 37.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 73.13 112.46 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.576 0.227 . . . . 64.11 111.114 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 44.33 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.425 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.69 -47.13 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 71.42 110.869 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.59 -48.86 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 63.13 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' LEU . 70.5 m -26.94 123.51 0.23 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 70.11 110.894 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.702 2.268 . . . . 71.52 112.332 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.841 0.353 . . . . 74.35 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.72 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 55.22 111.179 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -54.6 -36.39 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.108 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.86 0.362 . . . . 32.23 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.85 32.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 53.54 112.455 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.617 0.246 . . . . 73.3 111.12 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 54.33 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.455 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.72 -47.19 10.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.51 110.835 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.5 mt -121.43 -48.87 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 65.11 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' LEU . 69.8 m -27.02 123.45 0.23 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 71.21 110.908 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 64.23 112.341 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 58.3 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.86 0.362 . . . . 64.1 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -56.44 -64.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 m -54.48 -36.34 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 51.23 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.236 0.366 0 CA-C-N 116.168 -0.469 . . . . 44.02 111.12 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.8 0.333 . . . . 71.14 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.96 32.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 73.11 112.453 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.597 0.237 . . . . 65.52 111.139 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.779 0.323 . . . . 65.13 111.093 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.431 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.68 -47.17 10.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.837 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.42 -49.32 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.864 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 22' ' ' LEU . 68.3 m -26.66 122.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 74.01 110.905 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo . . . . . 0 C--O 1.232 0.221 0 C-N-CA 122.671 2.247 . . . . 43.23 112.324 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 64.41 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -51.54 -55.38 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.126 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.48 -37.97 65.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.236 0.385 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.15 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.803 0.335 . . . . 62.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.65 40.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 75.44 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.593 0.235 . . . . 70.11 111.131 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 72.3 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.678 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.1 m -84.97 -48.03 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.881 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.96 -49.28 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.0 m -25.97 123.31 0.22 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 73.44 110.91 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 61.13 112.322 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.502 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.502 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 57.19 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.657 2.238 . . . . 74.12 112.359 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.15 64.82 8.9 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.081 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.779 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.779 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DHA . . . . . 0.508 ' O ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -54.92 -47.68 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 71.23 110.862 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -48.46 -58.33 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 55.43 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -54.88 -37.19 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.702 HG22 ' HG3' ' A' ' 13' ' ' DBU . 2.7 mt -62.65 -70.42 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.702 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.05 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 72.34 111.103 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.93 -47.72 37.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.473 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -50.11 -46.46 24.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.549 0.214 . . . . 53.21 111.078 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' SER . 36.9 t -72.01 -44.46 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.709 -0.678 . . . . 73.4 111.135 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.585 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.13 -1.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 53.22 111.143 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.88 -47.15 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.848 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 7.0 mt -121.57 -48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 72.33 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.845 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 71.3 m -26.66 123.94 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 73.43 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.03 134.49 23.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 74.23 112.348 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.574 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.845 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 2.86 25.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 73.55 110.875 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 4.6 p -85.26 61.14 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 62.44 110.886 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -35.65 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 55.55 110.847 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -132.5 -43.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.881 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.868 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 57.2 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 74.22 112.349 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.16 64.82 8.9 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.789 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.789 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -55.69 -48.97 74.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.465 -0.788 . . . . 72.54 110.948 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -51.16 -55.61 16.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.32 111.138 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -54.52 -37.67 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 61.32 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 13' ' ' DBU . 22.0 mt -62.68 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.112 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.424 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.54 89.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 53.42 111.085 -178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -48.12 39.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 54.33 112.527 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.67 -47.04 21.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.607 0.241 . . . . 65.34 111.091 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -72.21 -47.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.719 -0.673 . . . . 73.25 111.117 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.703 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.54 -2.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 63.24 111.079 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.687 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -84.99 -48.14 9.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.826 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.94 -49.38 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.864 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 80.4 m -25.64 124.15 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.683 0.754 . . . . 64.03 110.862 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 134.76 23.89 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 74.45 112.325 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.577 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.864 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 2.0 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 64.25 110.92 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.0 p -85.78 64.27 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 62.01 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -55.45 13.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 60.0 110.829 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 41.78 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 44.24 110.854 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.875 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.5 ' O1 ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.5 ' HG3' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.2 Cg_endo -69.73 57.09 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 74.25 112.357 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.59 -65.15 0.06 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.227 -0.442 . . . . 65.21 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.726 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.726 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.03 -50.38 73.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.466 -0.788 . . . . 73.32 110.933 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m -51.38 -55.6 17.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 54.51 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.4 m -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.879 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.725 HG22 ' H ' ' A' ' 13' ' ' DBU . 12.7 mt -62.64 -71.54 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 116.176 -0.466 . . . . 62.35 111.127 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.725 ' H ' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.63 88.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.774 -0.648 . . . . 72.41 111.079 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.4 -48.04 39.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 61.24 112.458 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -49.75 -46.84 22.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.573 0.225 . . . . 64.31 111.072 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -72.21 -47.41 53.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 50.12 111.145 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.5 -2.48 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.939 -0.573 . . . . 71.12 111.095 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.69 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.11 -48.08 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.827 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.99 -49.63 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.822 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 82.9 m -25.12 125.09 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.761 . . . . 74.11 110.876 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.96 133.85 23.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 73.22 112.33 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.575 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.822 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.43 6.19 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.734 -0.666 . . . . 75.42 110.928 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 2.2 p -86.07 65.07 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.867 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -57.85 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 62.42 110.884 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -120.28 42.58 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.861 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 63.02 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.444 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.444 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.74 57.14 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 61.01 112.333 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.7 -65.14 0.06 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.24 -0.436 . . . . 74.5 111.088 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.756 ' O ' ' HG2' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.756 ' HG2' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -55.78 -47.5 76.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 73.33 110.963 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.0 m -51.87 -55.66 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.15 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.5 m -54.68 -37.49 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 13' ' ' DBU . 27.9 mt -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.163 -0.471 . . . . 74.42 111.18 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.408 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.64 88.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 60.14 111.077 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.47 -48.08 38.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 42.03 112.495 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -49.58 -46.89 21.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.592 0.235 . . . . 63.32 111.137 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.18 -47.28 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.658 . . . . 70.4 111.115 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.49 -2.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 63.51 111.117 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.08 -47.99 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.896 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.07 -49.02 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.925 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 81.3 m -26.01 124.33 0.21 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.661 0.743 . . . . 71.14 110.867 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.93 134.61 23.43 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.11 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.577 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.84 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 3.97 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.756 -0.656 . . . . 52.44 110.875 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.5 p -85.95 65.28 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.833 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -58.42 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 74.54 110.828 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -119.8 42.08 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 62.03 110.827 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.867 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.516 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.516 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.79 57.18 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 62.31 112.355 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.64 -65.21 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.219 -0.446 . . . . 65.35 111.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.481 ' CG ' ' HB ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -56.41 -49.4 74.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.524 -0.762 . . . . 74.32 110.916 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -51.63 -55.42 19.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 72.41 111.141 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.3 m -54.59 -37.83 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 71.21 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 13' ' ' DBU . 13.6 mt -62.56 -71.53 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.163 -0.471 . . . . 71.14 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.528 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.61 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.124 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.31 -48.14 39.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 70.12 112.474 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.72 -46.89 22.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.58 0.228 . . . . 65.2 111.1 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.22 -47.37 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 44.03 111.144 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.718 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.6 -2.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 41.33 111.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.695 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.24 -47.96 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.894 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.13 -49.62 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.89 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.802 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 84.1 m -25.01 125.61 0.18 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.664 0.745 . . . . 52.2 110.852 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.98 133.56 23.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.297 . . . . 75.42 112.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.565 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.802 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.72 7.8 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 74.42 110.913 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.8 p -86.14 64.75 8.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 50.23 110.853 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -59.63 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 40.33 110.84 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 3.5 ptm85 -119.94 42.49 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 65.12 110.846 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 64.21 110.831 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.479 ' O1 ' ' HG2' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.479 ' HG2' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 57.2 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.646 2.231 . . . . 75.22 112.33 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.16 64.8 8.88 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.187 -0.46 . . . . 32.11 111.087 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.785 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.785 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -54.95 -59.98 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 52.3 110.96 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.0 -54.3 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.139 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -54.61 -39.95 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 52.02 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.57 -71.13 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.38 90.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.752 -0.658 . . . . 73.42 111.106 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -48.07 38.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 64.01 112.5 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.64 -46.92 21.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.621 0.248 . . . . 72.24 111.153 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.15 -47.45 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 71.22 111.145 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.712 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.47 -2.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 75.34 111.146 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.682 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.04 -48.13 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.2 110.875 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.91 -49.48 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 61.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.845 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 78.6 m -25.48 124.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 73.41 110.885 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.03 134.79 24.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 73.4 112.321 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.576 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.845 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -104.47 1.89 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 71.11 110.889 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.0 p -85.56 63.63 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 60.25 110.932 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -55.47 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 60.14 110.917 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 15.9 ttm-85 -121.46 42.96 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 61.43 110.88 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.68 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.77 57.2 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 74.32 112.379 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.57 -65.15 0.06 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.183 -0.462 . . . . 62.43 111.129 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.552 ' O ' ' HG2' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.552 ' HG2' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -59.75 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.469 -0.787 . . . . 72.13 110.926 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 m -52.82 -54.67 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.21 111.136 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.8 m -54.63 -38.54 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 52.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 13' ' ' DBU . 46.1 mt -62.65 -71.36 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.146 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.453 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 24.41 111.105 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -47.79 39.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.679 -0.772 . . . . 63.34 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -50.05 -46.33 23.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 120.613 0.244 . . . . 72.2 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -71.96 -44.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 74.43 111.098 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.582 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.05 -2.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 63.31 111.062 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.73 -47.05 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 43.13 110.875 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.74 -48.9 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.902 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.802 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 77.4 m -26.61 124.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 73.13 110.926 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.93 133.54 22.98 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 74.51 112.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.552 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.802 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.52 9.73 12.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.741 -0.663 . . . . 64.23 110.922 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.6 p -86.52 65.52 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.3 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -59.37 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 75.04 110.861 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -118.87 43.37 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 73.01 110.875 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 60.52 110.897 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.687 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.4 Cg_endo -69.74 57.08 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 73.13 112.35 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.65 -64.98 0.06 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.238 -0.437 . . . . 71.12 111.071 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -54.62 -47.67 73.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.496 -0.775 . . . . 73.44 110.932 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -42.78 -65.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 65.55 111.14 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.4 m -54.59 -36.66 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.734 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.3 mt -62.7 -68.2 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.137 -0.483 . . . . 73.54 111.156 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.734 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.76 89.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 71.22 111.092 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.8 -47.47 32.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 44.33 112.524 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 12' ' ' ILE . 53.3 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.589 0.233 . . . . 73.53 111.112 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.75 -47.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.739 -0.664 . . . . 74.15 111.135 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.83 -2.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.963 -0.562 . . . . 62.02 111.099 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.667 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.39 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.907 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.22 -48.78 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.978 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.015 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 62.0 m -28.51 118.34 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 64.5 110.842 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.01 141.52 17.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.35 112.344 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.483 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 1.015 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -124.55 -10.0 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 55.13 110.938 -178.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 7.4 p -85.57 63.32 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.862 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -64.34 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 72.25 110.863 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' CYS . 12.2 ttp180 -133.77 -43.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.1 110.869 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.02 110.886 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 57.2 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 64.44 112.348 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.22 64.83 8.89 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.167 -0.47 . . . . 64.44 111.048 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.496 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -57.22 -36.16 70.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 71.44 110.917 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.86 -56.97 13.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 61.43 111.144 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.8 m -54.53 -36.99 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.577 HG22 ' HG3' ' A' ' 13' ' ' DBU . 28.9 mt -62.61 -71.28 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.15 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.577 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 72.24 111.08 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.65 -48.02 37.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 52.34 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.06 -46.34 23.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.631 0.253 . . . . 70.32 111.17 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.2 t -71.91 -44.27 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.75 -0.659 . . . . 73.42 111.122 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.04 -2.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 75.14 111.113 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.74 -47.03 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.2 110.877 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.6 -48.9 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.24 110.919 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.85 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 71.3 m -26.94 123.6 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 74.33 110.865 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.91 134.63 23.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.55 112.373 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.57 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.85 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.14 2.47 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 72.25 110.925 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.2 p -85.31 61.67 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.94 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.53 74.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 71.11 110.873 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 32' ' ' CYS . 29.2 ttt180 -134.86 -43.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.924 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.457 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.457 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.0 Cg_endo -69.74 57.15 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 64.33 112.37 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.65 -65.15 0.06 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.126 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CZ3' ' CG ' ' A' ' 13' ' ' DBU . 1.7 t-105 -61.7 -29.38 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.484 -0.78 . . . . 74.53 110.897 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 m -68.71 -58.43 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.164 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.51 -36.88 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.882 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG22 ' HG3' ' A' ' 13' ' ' DBU . 30.1 mt -62.63 -70.71 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.151 -0.477 . . . . 73.14 111.117 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.538 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.2 89.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.771 -0.649 . . . . 72.03 111.137 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -48.31 36.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 64.11 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.64 -46.9 21.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 120.582 0.23 . . . . 71.33 111.127 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.17 -47.46 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.69 -0.686 . . . . 70.02 111.111 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.59 -2.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 73.12 111.087 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.686 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.09 -48.09 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.9 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.95 -49.48 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 72.44 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.842 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 80.5 m -25.35 124.51 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.52 110.875 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.98 134.25 23.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 72.22 112.331 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.573 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.842 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.83 3.72 22.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.721 -0.672 . . . . 74.31 110.891 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.8 p -85.47 61.23 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 62.31 110.854 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -35.05 79.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 50.42 110.86 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -132.47 -43.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.879 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 65.23 110.851 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 57.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 72.41 112.373 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.19 64.81 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.089 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.527 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -54.77 -47.04 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.482 -0.781 . . . . 73.22 110.96 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.8 m -47.84 -59.88 2.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.165 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -54.65 -37.1 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mt -62.56 -69.95 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.183 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.98 90.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.754 -0.657 . . . . 73.32 111.091 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.02 -47.81 36.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 24.21 112.486 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t -50.09 -46.27 24.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.591 0.234 . . . . 54.23 111.1 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -71.92 -44.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 64.21 111.099 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.06 -2.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 72.15 111.112 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.75 -47.12 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.861 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.54 -48.73 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.976 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 74.6 m -26.98 123.84 0.23 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 74.31 110.886 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.97 134.26 23.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 65.11 112.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.578 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.84 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' H ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -108.57 4.04 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 75.13 110.913 -178.478 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.8 p -85.62 62.3 7.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.867 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -34.81 78.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 63.01 110.846 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' CYS . 7.8 ttp-105 -133.68 -43.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 73.42 110.856 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.677 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.78 57.25 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 64.3 112.334 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.61 -65.12 0.06 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.189 -0.459 . . . . 54.31 111.088 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -59.13 -38.5 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.499 -0.773 . . . . 73.51 110.908 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -56.96 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.157 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -54.43 -36.97 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.23 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.689 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.3 mt -62.58 -71.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.156 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.689 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.43 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 61.11 111.084 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.82 37.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 73.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.85 -46.71 22.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 120.585 0.231 . . . . 75.43 111.17 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.66 -47.7 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 74.24 111.114 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.542 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.741 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.62 -2.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.983 -0.553 . . . . 74.44 111.083 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.68 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.43 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.23 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 21' ' ' SER . 5.0 mt -121.33 -49.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 70.05 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.985 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 62.7 m -27.86 119.0 0.26 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 60.12 110.906 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.04 141.18 17.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.254 . . . . 71.43 112.312 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.472 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.985 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -128.1 -8.85 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 73.01 110.885 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.6 p -86.15 65.09 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 51.02 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -58.45 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 64.24 110.833 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.01 42.18 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 60.02 110.89 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 65.53 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.47 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.85 57.23 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 72.44 112.322 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 85.05 -64.63 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.215 -0.448 . . . . 70.24 111.145 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.451 ' CG ' ' HB ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.416 ' O ' ' O ' ' A' ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' DHA . . . . . 0.416 ' O ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -54.66 -34.06 61.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 74.44 110.951 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 m -56.83 -64.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.172 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.2 m -54.56 -36.36 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 61.33 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.587 HG22 ' HG3' ' A' ' 13' ' ' DBU . 15.3 mt -62.62 -68.22 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.094 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.587 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.34 90.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.727 -0.67 . . . . 72.54 111.091 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.83 -47.71 31.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 42.51 112.504 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.21 -46.38 24.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.594 0.235 . . . . 72.2 111.109 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.0 t -71.96 -44.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 71.31 111.144 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.675 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.09 -2.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.956 -0.565 . . . . 63.54 111.073 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.8 -47.1 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.01 110.857 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.58 -48.85 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 71.7 m -26.86 123.75 0.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 43.33 110.868 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.96 134.52 23.56 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 73.22 112.373 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.568 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.839 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.67 2.94 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.717 -0.674 . . . . 52.22 110.916 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 4.4 p -85.31 61.9 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 25.34 110.861 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 72.32 110.855 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 32' ' ' CYS . 10.9 ttp85 -135.25 -43.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.927 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 62.34 110.915 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.549 ' O3 ' ' CD1' ' A' ' 9' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.461 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 54.1 Cg_endo -69.66 57.14 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.258 . . . . 65.22 112.378 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.16 64.81 8.89 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.115 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CD1' ' O3 ' ' A' ' 1' ' ' 2KT . 84.8 m95 -56.51 -38.66 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 71.14 110.918 175.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -56.94 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.04 111.165 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -54.34 -36.95 64.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.673 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.1 mt -62.59 -71.43 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.122 -0.49 . . . . 74.1 111.169 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.673 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.19 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 64.03 111.132 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.82 -48.08 36.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.706 -0.759 . . . . 64.12 112.453 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -49.96 -46.4 23.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.565 0.222 . . . . 73.02 111.087 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.66 -47.4 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.645 . . . . 64.44 111.129 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.556 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.715 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.78 -2.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.557 . . . . 63.15 111.077 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.662 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.3 m -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.88 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.24 -49.06 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.2 110.927 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.002 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 62.9 m -27.82 119.63 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 63.14 110.924 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.93 140.53 18.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.23 . . . . 64.22 112.367 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.503 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 1.002 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 -6.5 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 73.33 110.878 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.9 p -86.39 67.33 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.847 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' C ' ' A' ' 26' ' ' DBU . 0.1 OUTLIER -67.53 -57.66 6.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 61.23 110.845 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.583 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 8.1 ttp180 -119.6 42.63 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 60.41 110.88 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.46 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.46 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 57.14 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 70.42 112.353 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.655 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.2 66.65 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.3 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.655 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.04 -35.1 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.795 . . . . 64.33 110.902 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -56.48 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 m -54.44 -36.48 64.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.432 HG22 ' HG3' ' A' ' 13' ' ' DBU . 31.2 mt -62.56 -68.48 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.158 -0.473 . . . . 71.23 111.114 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.432 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.27 91.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 74.31 111.081 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.89 31.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 72.31 112.425 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.23 -46.08 24.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.598 0.237 . . . . 75.31 111.141 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.6 t -71.91 -44.19 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 61.54 111.156 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.18 -1.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 63.32 111.118 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.87 -47.05 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.882 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.55 -48.61 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.951 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.806 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 75.4 m -27.04 124.11 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 75.14 110.878 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.93 133.91 23.12 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 72.22 112.34 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.564 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.806 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -114.43 7.11 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.763 -0.653 . . . . 63.31 110.881 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.8 p -86.04 64.21 8.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -48.99 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 72.43 110.829 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.2 -35.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.04 110.864 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.41 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.683 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.7 Cg_endo -69.78 16.24 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.68 2.253 . . . . 75.42 112.363 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.6 -65.12 0.06 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.234 -0.439 . . . . 61.22 111.099 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.684 ' O ' ' HG2' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.684 ' HG2' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -57.37 -35.58 70.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.449 -0.796 . . . . 73.33 110.925 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -62.4 -57.07 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 62.21 111.149 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.7 m -54.5 -36.9 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.664 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.3 mt -62.68 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.155 -0.475 . . . . 62.11 111.115 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.664 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.3 88.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.716 -0.675 . . . . 75.25 111.097 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.94 37.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 72.42 112.479 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -50.05 -46.38 23.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.597 0.237 . . . . 74.41 111.104 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.4 t -71.83 -44.2 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.753 -0.658 . . . . 54.41 111.133 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.01 -2.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.537 . . . . 73.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.478 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.86 -47.01 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 51.12 110.868 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.65 -48.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.3 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.83 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 75.9 m -27.06 123.95 0.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 73.22 110.884 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.97 134.2 23.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 73.02 112.298 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.566 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.83 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 5.1 20.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.679 . . . . 74.14 110.928 -178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 2.9 p -85.86 63.54 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 70.21 110.872 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -59.61 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 63.02 110.879 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 3.5 ptm85 -120.34 42.29 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 75.54 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.61 ' O1 ' ' H42' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.437 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 53.1 Cg_endo -69.84 57.16 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 75.5 112.305 -178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.21 64.8 8.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.199 -0.455 . . . . 52.51 111.089 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.548 ' O ' ' C ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.548 ' C ' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -58.37 -35.45 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 71.23 110.937 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -62.68 -57.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.196 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -54.48 -36.99 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.865 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.645 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.0 mt -62.66 -71.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.137 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.645 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.21 88.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 43.01 111.103 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.89 37.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 73.13 112.46 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.14 -46.36 24.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.576 0.227 . . . . 64.11 111.114 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.3 t -71.91 -44.44 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 65.43 111.127 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.681 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.06 -2.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 44.33 111.055 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.69 -47.13 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 71.42 110.869 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.59 -48.86 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 63.13 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.86 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 70.5 m -26.94 123.51 0.23 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 70.11 110.894 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 134.79 23.63 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.702 2.268 . . . . 71.52 112.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.571 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.86 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 2.02 29.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 55.34 110.868 -178.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.9 p -85.48 63.92 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.44 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 65.31 110.86 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.561 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 15.0 ttm180 -120.96 42.95 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 64.11 110.833 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.899 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' DBU . . . . . 0.408 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.688 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.78 57.11 1.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.68 2.254 . . . . 71.04 112.351 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 85.17 -64.66 0.06 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.092 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.427 ' O ' ' O ' ' A' ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' DHA . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -54.66 -35.2 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 74.35 110.92 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.72 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 55.22 111.179 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -54.6 -36.39 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.6 -68.28 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.108 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.33 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 32.23 111.112 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.85 32.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 53.54 112.455 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -50.17 -46.22 24.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 120.617 0.246 . . . . 73.3 111.12 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.9 t -71.92 -44.21 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 74.02 111.11 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.13 -2.16 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 54.33 111.114 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.72 -47.19 10.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.51 110.835 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.5 mt -121.43 -48.87 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 65.11 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.853 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 69.8 m -27.02 123.45 0.23 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 71.21 110.908 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -47.97 134.84 23.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 64.23 112.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.569 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.853 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 2.32 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.721 -0.672 . . . . 71.11 110.878 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.7 p -85.61 64.12 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 53.25 110.864 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -56.41 9.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 73.12 110.885 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -121.01 43.27 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.44 110.875 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 62.55 110.924 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 57.2 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 70.25 112.318 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.654 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.14 66.41 9.72 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.219 -0.446 . . . . 60.1 111.162 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.654 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -55.09 -35.05 64.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.452 -0.794 . . . . 64.1 110.917 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -56.44 -64.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 m -54.48 -36.34 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 51.23 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.646 HG22 ' HG3' ' A' ' 13' ' ' DBU . 12.2 mt -62.65 -68.54 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.168 -0.469 . . . . 44.02 111.12 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.646 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.38 90.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 71.14 111.048 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.96 32.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 73.11 112.453 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -50.21 -46.26 24.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 120.597 0.237 . . . . 65.52 111.139 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -72.07 -44.28 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.731 -0.668 . . . . 71.11 111.135 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.588 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.707 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.19 -2.18 1.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 65.13 111.093 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.68 -47.17 10.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.837 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.42 -49.32 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.864 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.91 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 68.3 m -26.66 122.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 74.01 110.905 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.95 135.51 23.5 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.671 2.247 . . . . 43.23 112.324 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.583 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.91 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -97.19 -1.04 45.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 63.33 110.892 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 12.1 p -85.34 63.66 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.872 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -54.86 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 75.11 110.847 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' DBU . 0.1 OUTLIER -122.8 41.54 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.85 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 43.33 110.912 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.624 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.6 Cg_endo -69.77 56.95 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 55.2 112.352 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 79.09 -67.31 0.16 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.183 -0.462 . . . . 70.42 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.594 ' C ' ' H ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DAL . . . . . 0.594 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -57.84 -48.84 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.462 -0.79 . . . . 64.41 110.893 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -51.54 -55.38 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.126 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.48 -37.97 65.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.657 HG22 ' HG3' ' A' ' 13' ' ' DBU . 16.7 mt -62.65 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.15 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' DBU . . . . . 0.657 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.83 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.74 -0.664 . . . . 62.0 111.082 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.65 40.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 75.44 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -49.65 -47.2 21.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.593 0.235 . . . . 70.11 111.131 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.31 -47.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.759 -0.655 . . . . 61.31 111.107 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' DAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.713 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.51 -2.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 72.3 111.1 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.678 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.1 m -84.97 -48.03 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.881 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.96 -49.28 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.874 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 75.0 m -25.97 123.31 0.22 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 73.44 110.91 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.97 135.51 23.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 61.13 112.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' DBB . . . . . 0.572 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' DBU . . . . . 0.874 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -117.81 1.19 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 71.33 110.943 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.572 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.3 p -85.79 63.64 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.884 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' C ' ' A' ' 26' ' ' DBU . 0.0 OUTLIER -55.1 -43.78 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 74.23 110.837 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -131.84 -37.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.53 110.93 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.918 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.8 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.795 0.331 . . . . 71.23 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -48.46 -58.33 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 55.43 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -54.88 -37.19 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.118 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.823 0.344 . . . . 72.34 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.93 -47.72 37.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.473 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--O 1.236 0.367 0 CA-C-O 120.549 0.214 . . . . 53.21 111.078 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 53.22 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.88 -47.15 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.848 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 7.0 mt -121.57 -48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 72.33 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.3 m -26.66 123.94 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 73.43 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 74.23 112.348 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 72.54 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -51.16 -55.61 16.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.32 111.138 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -54.52 -37.67 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 61.32 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.112 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.796 0.331 . . . . 53.42 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -48.12 39.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 54.33 112.527 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.235 0.297 0 CA-C-O 120.607 0.241 . . . . 65.34 111.091 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 63.24 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.687 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -84.99 -48.14 9.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.826 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.94 -49.38 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.542 ' C ' ' O ' ' A' ' 22' ' ' LEU . 80.4 m -25.64 124.15 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.683 0.754 . . . . 64.03 110.862 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo . . . . . 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 74.45 112.325 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.1 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 73.32 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m -51.38 -55.6 17.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 54.51 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.4 m -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.879 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.236 0.371 0 CA-C-N 116.176 -0.466 . . . . 62.35 111.127 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 72.41 111.079 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.4 -48.04 39.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 61.24 112.458 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.573 0.225 . . . . 64.31 111.072 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.781 0.324 . . . . 71.12 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.69 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.11 -48.08 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.827 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.99 -49.63 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.55 ' C ' ' O ' ' A' ' 22' ' ' LEU . 82.9 m -25.12 125.09 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.761 . . . . 74.11 110.876 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 73.22 112.33 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.4 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 73.33 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.0 m -51.87 -55.66 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.15 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.5 m -54.68 -37.49 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.236 0.35 0 CA-C-N 116.163 -0.471 . . . . 74.42 111.18 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.832 0.348 . . . . 60.14 111.077 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.47 -48.08 38.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 42.03 112.495 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.592 0.235 . . . . 63.32 111.137 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.781 0.324 . . . . 63.51 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.08 -47.99 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.896 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.07 -49.02 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.925 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' C ' ' O ' ' A' ' 22' ' ' LEU . 81.3 m -26.01 124.33 0.21 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.661 0.743 . . . . 71.14 110.867 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo . . . . . 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.11 112.362 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.5 m95 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.893 0.378 . . . . 74.32 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -51.63 -55.42 19.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 72.41 111.141 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.3 m -54.59 -37.83 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 71.21 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.236 0.343 0 CA-C-N 116.163 -0.471 . . . . 71.14 111.114 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.805 0.336 . . . . 74.12 111.124 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.31 -48.14 39.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 70.12 112.474 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.236 0.355 0 CA-C-O 120.58 0.228 . . . . 65.2 111.1 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 41.33 111.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.695 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.24 -47.96 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.894 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.13 -49.62 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.89 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' C ' ' O ' ' A' ' 22' ' ' LEU . 84.1 m -25.01 125.61 0.18 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.664 0.745 . . . . 52.2 110.852 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.297 . . . . 75.42 112.334 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.1 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 52.3 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.0 -54.3 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.139 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -54.61 -39.95 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 52.02 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--O 1.236 0.35 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.113 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.884 0.373 . . . . 73.42 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -48.07 38.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 64.01 112.5 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.621 0.248 . . . . 72.24 111.153 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.753 0.311 . . . . 75.34 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.682 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.04 -48.13 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.2 110.875 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.91 -49.48 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 61.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' C ' ' O ' ' A' ' 22' ' ' LEU . 78.6 m -25.48 124.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 73.41 110.885 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 73.4 112.321 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.2 m95 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.826 0.346 . . . . 72.13 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 m -52.82 -54.67 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.21 111.136 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.8 m -54.63 -38.54 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 52.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--O 1.235 0.3 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.146 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.803 0.335 . . . . 24.41 111.105 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -47.79 39.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.679 -0.772 . . . . 63.34 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 C--O 1.236 0.364 0 CA-C-O 120.613 0.244 . . . . 72.2 111.125 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.784 0.326 . . . . 63.31 111.062 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.435 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.73 -47.05 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 43.13 110.875 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.74 -48.9 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.902 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 22' ' ' LEU . 77.4 m -26.61 124.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 73.13 110.926 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 74.51 112.369 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.8 m95 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.817 0.341 . . . . 73.44 110.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -42.78 -65.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 65.55 111.14 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.4 m -54.59 -36.66 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.3 mt . . . . . 0 C--O 1.236 0.351 0 CA-C-N 116.137 -0.483 . . . . 73.54 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.826 0.346 . . . . 71.22 111.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.8 -47.47 32.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 44.33 112.524 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 12' ' ' ILE . 53.3 t . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.589 0.233 . . . . 73.53 111.112 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.762 0.315 . . . . 62.02 111.099 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.667 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.39 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.907 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.22 -48.78 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.978 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.508 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.0 m -28.51 118.34 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 64.5 110.842 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.35 112.344 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.5 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.853 0.359 . . . . 71.44 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.86 -56.97 13.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 61.43 111.144 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.8 m -54.53 -36.99 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--O 1.236 0.347 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.15 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.801 0.334 . . . . 72.24 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.65 -48.02 37.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 52.34 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.631 0.253 . . . . 70.32 111.17 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.806 0.336 . . . . 75.14 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.428 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.74 -47.03 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.2 110.877 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.6 -48.9 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.24 110.919 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.3 m -26.94 123.6 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 74.33 110.865 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.55 112.373 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.84 0.352 . . . . 74.53 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 m -68.71 -58.43 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.164 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.51 -36.88 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.882 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.236 0.369 0 CA-C-N 116.151 -0.477 . . . . 73.14 111.117 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.871 0.367 . . . . 72.03 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -48.31 36.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 64.11 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.582 0.23 . . . . 71.33 111.127 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 73.12 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.686 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.09 -48.09 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.9 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.95 -49.48 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 72.44 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 22' ' ' LEU . 80.5 m -25.35 124.51 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.52 110.875 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 72.22 112.331 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.8 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.894 0.378 . . . . 73.22 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.8 m -47.84 -59.88 2.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.165 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -54.65 -37.1 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mt . . . . . 0 C--O 1.236 0.348 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.183 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.857 0.36 . . . . 73.32 111.091 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.02 -47.81 36.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 24.21 112.486 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.591 0.234 . . . . 54.23 111.1 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 72.15 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.453 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.75 -47.12 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.861 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.54 -48.73 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.976 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 22' ' ' LEU . 74.6 m -26.98 123.84 0.23 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 74.31 110.886 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 65.11 112.395 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.3 m95 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.82 0.343 . . . . 73.51 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -56.96 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.157 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -54.43 -36.97 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.23 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.156 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.843 0.354 . . . . 61.11 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.82 37.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 73.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.585 0.231 . . . . 75.43 111.17 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 74.44 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.68 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.43 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.23 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 21' ' ' SER . 5.0 mt -121.33 -49.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 70.05 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.7 m -27.86 119.0 0.26 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 60.12 110.906 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.254 . . . . 71.43 112.312 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.862 0.363 . . . . 74.44 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 m -56.83 -64.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.172 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.2 m -54.56 -36.36 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 61.33 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.235 0.307 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.094 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.815 0.341 . . . . 72.54 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.83 -47.71 31.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 42.51 112.504 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.594 0.235 . . . . 72.2 111.109 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 63.54 111.073 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.8 -47.1 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.01 110.857 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.58 -48.85 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 22' ' ' LEU . 71.7 m -26.86 123.75 0.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 43.33 110.868 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 73.22 112.373 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.809 0.337 . . . . 71.14 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -56.94 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.04 111.165 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -54.34 -36.95 64.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.236 0.342 0 CA-C-N 116.122 -0.49 . . . . 74.1 111.169 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.868 0.366 . . . . 64.03 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.82 -48.08 36.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.706 -0.759 . . . . 64.12 112.453 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.565 0.222 . . . . 73.02 111.087 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 63.15 111.077 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.662 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.3 m -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.88 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.24 -49.06 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.2 110.927 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' LEU . 62.9 m -27.82 119.63 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 63.14 110.924 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.23 . . . . 64.22 112.367 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.6 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.35 . . . . 64.33 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -56.48 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 m -54.44 -36.48 64.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.236 0.368 0 CA-C-N 116.158 -0.473 . . . . 71.23 111.114 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.848 0.356 . . . . 74.31 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.89 31.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 72.31 112.425 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.598 0.237 . . . . 75.31 111.141 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.801 0.334 . . . . 63.32 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.452 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.87 -47.05 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.882 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.55 -48.61 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.951 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.522 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.4 m -27.04 124.11 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 75.14 110.878 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 72.22 112.34 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.834 0.35 . . . . 73.33 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -62.4 -57.07 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 62.21 111.149 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.7 m -54.5 -36.9 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-N 116.155 -0.475 . . . . 62.11 111.115 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 75.25 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.94 37.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 72.42 112.479 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.597 0.237 . . . . 74.41 111.104 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.741 0.305 . . . . 73.0 111.093 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.441 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.86 -47.01 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 51.12 110.868 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.65 -48.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.3 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.9 m -27.06 123.95 0.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 73.22 110.884 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 73.02 112.298 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.6 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.837 0.351 . . . . 71.23 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -62.68 -57.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.196 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -54.48 -36.99 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.865 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.235 0.337 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.137 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 43.01 111.103 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.89 37.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 73.13 112.46 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.576 0.227 . . . . 64.11 111.114 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 44.33 111.055 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.425 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.69 -47.13 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 71.42 110.869 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.59 -48.86 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 63.13 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 22' ' ' LEU . 70.5 m -26.94 123.51 0.23 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 70.11 110.894 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo . . . . . 0 C--O 1.232 0.199 0 C-N-CA 122.702 2.268 . . . . 71.52 112.332 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.841 0.353 . . . . 74.35 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.72 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 55.22 111.179 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -54.6 -36.39 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.108 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.86 0.362 . . . . 32.23 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.85 32.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 53.54 112.455 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.617 0.246 . . . . 73.3 111.12 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.837 0.351 . . . . 54.33 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.455 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.72 -47.19 10.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.51 110.835 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.5 mt -121.43 -48.87 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 65.11 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' C ' ' O ' ' A' ' 22' ' ' LEU . 69.8 m -27.02 123.45 0.23 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 71.21 110.908 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 64.23 112.341 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 58.3 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.86 0.362 . . . . 64.1 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -56.44 -64.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 m -54.48 -36.34 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 51.23 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.236 0.366 0 CA-C-N 116.168 -0.469 . . . . 44.02 111.12 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.8 0.333 . . . . 71.14 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.96 32.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 73.11 112.453 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.597 0.237 . . . . 65.52 111.139 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.779 0.323 . . . . 65.13 111.093 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.431 ' C ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -85.68 -47.17 10.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.837 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.42 -49.32 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.864 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' C ' ' O ' ' A' ' 22' ' ' LEU . 68.3 m -26.66 122.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 74.01 110.905 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo . . . . . 0 C--O 1.232 0.221 0 C-N-CA 122.671 2.247 . . . . 43.23 112.324 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 64.41 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -51.54 -55.38 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.126 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.48 -37.97 65.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.236 0.385 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.15 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.803 0.335 . . . . 62.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.65 40.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 75.44 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.593 0.235 . . . . 70.11 111.131 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 72.3 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.678 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.1 m -84.97 -48.03 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.881 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.96 -49.28 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.539 ' C ' ' O ' ' A' ' 22' ' ' LEU . 75.0 m -25.97 123.31 0.22 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 73.44 110.91 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 61.13 112.322 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.502 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.502 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 57.19 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.657 2.238 . . . . 74.12 112.359 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.52 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.15 64.82 8.9 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.081 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.779 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.779 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . 0.508 ' O ' HD12 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -54.92 -47.68 74.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 71.23 110.862 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -48.46 -58.33 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 55.43 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -54.88 -37.19 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.702 HG22 ' HG3' ' A' ' 13' ' ' DBU . 2.7 mt -62.65 -70.42 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.118 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.702 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.05 90.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.691 -0.686 . . . . 72.34 111.103 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.93 -47.72 37.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.473 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -50.11 -46.46 24.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.549 0.214 . . . . 53.21 111.078 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 21' ' ' SER . 36.9 t -72.01 -44.46 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.709 -0.678 . . . . 73.4 111.135 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.585 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.13 -1.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 53.22 111.143 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.88 -47.15 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.848 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 23' ' ' CYS . 7.0 mt -121.57 -48.99 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 72.33 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.845 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 71.3 m -26.66 123.94 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 73.43 110.902 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.03 134.49 23.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.257 . . . . 74.23 112.348 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.574 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.845 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.1 2.86 25.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 73.55 110.875 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 4.6 p -85.26 61.14 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 62.44 110.886 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -35.65 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 55.55 110.847 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -132.5 -43.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.881 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.868 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 57.2 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.627 2.218 . . . . 74.22 112.349 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.534 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.16 64.82 8.9 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.789 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.789 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -55.69 -48.97 74.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.465 -0.788 . . . . 72.54 110.948 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -51.16 -55.61 16.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.32 111.138 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -54.52 -37.67 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 61.32 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 13' ' ' DBU . 22.0 mt -62.68 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.112 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.424 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.54 89.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.753 -0.658 . . . . 53.42 111.085 -178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.32 -48.12 39.8 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 54.33 112.527 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.67 -47.04 21.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.607 0.241 . . . . 65.34 111.091 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -72.21 -47.41 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.719 -0.673 . . . . 73.25 111.117 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.703 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.54 -2.58 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 63.24 111.079 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.687 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -84.99 -48.14 9.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.24 110.826 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.94 -49.38 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.864 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 80.4 m -25.64 124.15 0.21 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.683 0.754 . . . . 64.03 110.862 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -48.0 134.76 23.89 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.709 2.273 . . . . 74.45 112.325 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.577 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.864 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 2.0 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 64.25 110.92 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.0 p -85.78 64.27 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 62.01 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -55.45 13.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 60.0 110.829 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 41.78 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 44.24 110.854 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.875 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.5 ' O1 ' ' HG3' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.5 ' HG3' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.2 Cg_endo -69.73 57.09 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 74.25 112.357 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.59 -65.15 0.06 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.227 -0.442 . . . . 65.21 111.131 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.726 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.726 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -58.03 -50.38 73.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.466 -0.788 . . . . 73.32 110.933 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m -51.38 -55.6 17.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 54.51 111.162 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.4 m -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.879 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.725 HG22 ' H ' ' A' ' 13' ' ' DBU . 12.7 mt -62.64 -71.54 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 116.176 -0.466 . . . . 62.35 111.127 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.725 ' H ' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.63 88.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.774 -0.648 . . . . 72.41 111.079 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.4 -48.04 39.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.719 . . . . 61.24 112.458 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -49.75 -46.84 22.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.573 0.225 . . . . 64.31 111.072 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -72.21 -47.41 53.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.759 -0.655 . . . . 50.12 111.145 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.5 -2.48 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.939 -0.573 . . . . 71.12 111.095 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.69 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.11 -48.08 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.827 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.99 -49.63 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.892 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.822 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 82.9 m -25.12 125.09 0.19 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.697 0.761 . . . . 74.11 110.876 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.96 133.85 23.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.707 2.271 . . . . 73.22 112.33 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.575 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.822 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.43 6.19 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.734 -0.666 . . . . 75.42 110.928 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 2.2 p -86.07 65.07 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.867 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -57.85 5.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 62.42 110.884 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -120.28 42.58 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.861 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 63.02 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.444 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.444 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.74 57.14 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 61.01 112.333 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.7 -65.14 0.06 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.24 -0.436 . . . . 74.5 111.088 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.756 ' O ' ' HG2' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.756 ' HG2' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -55.78 -47.5 76.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 73.33 110.963 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.0 m -51.87 -55.66 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.15 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.5 m -54.68 -37.49 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG22 ' HG3' ' A' ' 13' ' ' DBU . 27.9 mt -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.163 -0.471 . . . . 74.42 111.18 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.408 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.9 -44.64 88.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.763 -0.653 . . . . 60.14 111.077 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.47 -48.08 38.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 42.03 112.495 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -49.58 -46.89 21.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.592 0.235 . . . . 63.32 111.137 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.18 -47.28 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.658 . . . . 70.4 111.115 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.49 -2.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.953 -0.567 . . . . 63.51 111.117 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.681 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.08 -47.99 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.896 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.07 -49.02 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.925 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 81.3 m -26.01 124.33 0.21 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.661 0.743 . . . . 71.14 110.867 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.93 134.61 23.43 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.11 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.577 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.84 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.4 3.97 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.756 -0.656 . . . . 52.44 110.875 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.577 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.5 p -85.95 65.28 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 61.12 110.833 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -58.42 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 74.54 110.828 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -119.8 42.08 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 62.03 110.827 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.867 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.516 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.516 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.79 57.18 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 62.31 112.355 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.64 -65.21 0.06 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.219 -0.446 . . . . 65.35 111.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.481 ' CG ' ' HB ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -56.41 -49.4 74.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.524 -0.762 . . . . 74.32 110.916 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -51.63 -55.42 19.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.204 -0.453 . . . . 72.41 111.141 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.3 m -54.59 -37.83 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 71.21 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 13' ' ' DBU . 13.6 mt -62.56 -71.53 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.163 -0.471 . . . . 71.14 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.528 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.61 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.74 -0.664 . . . . 74.12 111.124 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.31 -48.14 39.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 70.12 112.474 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.2 t -49.72 -46.89 22.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 120.58 0.228 . . . . 65.2 111.1 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.22 -47.37 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 44.03 111.144 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.718 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.6 -2.34 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.953 -0.567 . . . . 41.33 111.104 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.695 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.24 -47.96 9.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.894 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -122.13 -49.62 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.89 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.802 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 84.1 m -25.01 125.61 0.18 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.664 0.745 . . . . 52.2 110.852 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.98 133.56 23.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.745 2.297 . . . . 75.42 112.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.565 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.802 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.72 7.8 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.733 -0.667 . . . . 74.42 110.913 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.8 p -86.14 64.75 8.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 50.23 110.853 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -59.63 3.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 40.33 110.84 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 3.5 ptm85 -119.94 42.49 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 65.12 110.846 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 64.21 110.831 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.479 ' O1 ' ' HG2' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.479 ' HG2' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 57.2 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.646 2.231 . . . . 75.22 112.33 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.16 64.8 8.88 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.187 -0.46 . . . . 32.11 111.087 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.785 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.785 ' HG3' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -54.95 -59.98 4.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 52.3 110.96 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.0 -54.3 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.139 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -54.61 -39.95 68.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 52.02 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.0 mt -62.57 -71.13 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.113 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.38 90.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.752 -0.658 . . . . 73.42 111.106 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -48.07 38.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 64.01 112.5 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.64 -46.92 21.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.621 0.248 . . . . 72.24 111.153 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.15 -47.45 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.779 -0.646 . . . . 71.22 111.145 -178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.712 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.47 -2.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 75.34 111.146 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.682 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.04 -48.13 9.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 70.2 110.875 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.91 -49.48 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 61.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.845 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 78.6 m -25.48 124.09 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 73.41 110.885 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.03 134.79 24.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 73.4 112.321 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.576 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.845 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -104.47 1.89 30.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 71.11 110.889 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.0 p -85.56 63.63 8.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 60.25 110.932 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -55.47 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 60.14 110.917 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.582 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 15.9 ttm-85 -121.46 42.96 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.865 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 61.43 110.88 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.68 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.77 57.2 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.633 2.222 . . . . 74.32 112.379 -178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.57 -65.15 0.06 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.183 -0.462 . . . . 62.43 111.129 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.552 ' O ' ' HG2' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.552 ' HG2' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -59.75 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.469 -0.787 . . . . 72.13 110.926 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.3 m -52.82 -54.67 30.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 70.21 111.136 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.8 m -54.63 -38.54 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 52.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 13' ' ' DBU . 46.1 mt -62.65 -71.36 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.178 -0.465 . . . . 54.33 111.146 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.453 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.2 90.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.751 -0.659 . . . . 24.41 111.105 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -47.79 39.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.679 -0.772 . . . . 63.34 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -50.05 -46.33 23.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 120.613 0.244 . . . . 72.2 111.125 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -71.96 -44.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 74.43 111.098 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.582 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.05 -2.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 63.31 111.062 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.73 -47.05 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 43.13 110.875 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.74 -48.9 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.902 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.802 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 77.4 m -26.61 124.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 73.13 110.926 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.93 133.54 22.98 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.686 2.257 . . . . 74.51 112.369 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.552 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.802 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.52 9.73 12.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.741 -0.663 . . . . 64.23 110.922 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.6 p -86.52 65.52 9.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 70.3 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -59.37 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 75.04 110.861 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -118.87 43.37 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 73.01 110.875 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 60.52 110.897 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.687 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.4 Cg_endo -69.74 57.08 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 73.13 112.35 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.65 -64.98 0.06 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.238 -0.437 . . . . 71.12 111.071 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -54.62 -47.67 73.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.496 -0.775 . . . . 73.44 110.932 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 m -42.78 -65.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 65.55 111.14 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.4 m -54.59 -36.66 64.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.889 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.734 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.3 mt -62.7 -68.2 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.137 -0.483 . . . . 73.54 111.156 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.734 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.76 89.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 71.22 111.092 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.8 -47.47 32.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 44.33 112.524 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 12' ' ' ILE . 53.3 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.589 0.233 . . . . 73.53 111.112 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.75 -47.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.739 -0.664 . . . . 74.15 111.135 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.728 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.83 -2.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.963 -0.562 . . . . 62.02 111.099 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.667 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.39 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.907 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.22 -48.78 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.978 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.015 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 62.0 m -28.51 118.34 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 64.5 110.842 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.01 141.52 17.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 72.35 112.344 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.483 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 1.015 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' CD ' ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -124.55 -10.0 7.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.743 -0.662 . . . . 55.13 110.938 -178.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 7.4 p -85.57 63.32 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.862 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 t -64.34 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.312 -0.404 . . . . 72.25 110.863 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 32' ' ' CYS . 12.2 ttp180 -133.77 -43.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 72.1 110.869 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 62.02 110.886 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 57.2 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.694 2.263 . . . . 64.44 112.348 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.22 64.83 8.89 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.167 -0.47 . . . . 64.44 111.048 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.496 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -57.22 -36.16 70.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 71.44 110.917 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 99.5 m -61.86 -56.97 13.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 61.43 111.144 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.8 m -54.53 -36.99 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.577 HG22 ' HG3' ' A' ' 13' ' ' DBU . 28.9 mt -62.61 -71.28 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.15 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.577 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.2 88.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 72.24 111.08 -178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.65 -48.02 37.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 52.34 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.06 -46.34 23.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.631 0.253 . . . . 70.32 111.17 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.2 t -71.91 -44.27 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.75 -0.659 . . . . 73.42 111.122 -178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.04 -2.12 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 75.14 111.113 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.74 -47.03 10.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.2 110.877 -179.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.6 -48.9 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.24 110.919 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.85 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 71.3 m -26.94 123.6 0.23 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 74.33 110.865 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -47.91 134.63 23.3 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 73.55 112.373 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.57 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.85 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.14 2.47 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 72.25 110.925 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.2 p -85.31 61.67 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.94 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.53 74.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 71.11 110.873 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 32' ' ' CYS . 29.2 ttt180 -134.86 -43.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.924 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.457 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.457 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 54.0 Cg_endo -69.74 57.15 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 64.33 112.37 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.65 -65.15 0.06 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.193 -0.458 . . . . 73.44 111.126 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CZ3' ' CG ' ' A' ' 13' ' ' DBU . 1.7 t-105 -61.7 -29.38 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.484 -0.78 . . . . 74.53 110.897 175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 m -68.71 -58.43 4.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.164 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.51 -36.88 64.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.882 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG22 ' HG3' ' A' ' 13' ' ' DBU . 30.1 mt -62.63 -70.71 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.151 -0.477 . . . . 73.14 111.117 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.538 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.2 89.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.771 -0.649 . . . . 72.03 111.137 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 -48.31 36.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 64.11 112.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -49.64 -46.9 21.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 120.582 0.23 . . . . 71.33 111.127 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.17 -47.46 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.69 -0.686 . . . . 70.02 111.111 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.691 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.59 -2.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 73.12 111.087 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.686 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.2 m -85.09 -48.09 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.22 110.9 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 21' ' ' SER . 5.3 mt -121.95 -49.48 2.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 72.44 110.91 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.842 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 80.5 m -25.35 124.51 0.2 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 74.52 110.875 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.98 134.25 23.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 72.22 112.331 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.573 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.842 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.83 3.72 22.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.721 -0.672 . . . . 74.31 110.891 -178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.8 p -85.47 61.23 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 62.31 110.854 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -35.05 79.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 50.42 110.86 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -132.47 -43.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.879 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 65.23 110.851 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 57.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 72.41 112.373 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.19 64.81 8.89 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.089 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.527 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.455 ' N ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -54.77 -47.04 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.482 -0.781 . . . . 73.22 110.96 175.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.8 m -47.84 -59.88 2.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.165 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -54.65 -37.1 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mt -62.56 -69.95 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.138 -0.483 . . . . 74.12 111.183 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.98 90.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.754 -0.657 . . . . 73.32 111.091 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.02 -47.81 36.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 24.21 112.486 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.9 t -50.09 -46.27 24.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.591 0.234 . . . . 54.23 111.1 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -71.92 -44.09 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 64.21 111.099 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.06 -2.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 72.15 111.112 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.75 -47.12 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 71.43 110.861 -179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.54 -48.73 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.976 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 74.6 m -26.98 123.84 0.23 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 74.31 110.886 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.97 134.26 23.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.688 2.259 . . . . 65.11 112.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.578 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.84 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' H ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -108.57 4.04 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 75.13 110.913 -178.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.8 p -85.62 62.3 7.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 53.34 110.867 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -34.81 78.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 63.01 110.846 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' CYS . 7.8 ttp-105 -133.68 -43.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 73.42 110.856 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.677 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.78 57.25 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 64.3 112.334 -178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.61 -65.12 0.06 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.189 -0.459 . . . . 54.31 111.088 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -59.13 -38.5 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.499 -0.773 . . . . 73.51 110.908 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -59.87 -56.96 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 75.13 111.157 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.3 m -54.43 -36.97 64.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 63.23 110.868 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.689 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.3 mt -62.58 -71.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.156 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.689 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.43 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.757 -0.656 . . . . 61.11 111.084 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.82 37.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 73.14 112.486 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.85 -46.71 22.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 120.585 0.231 . . . . 75.43 111.17 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.66 -47.7 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.77 -0.65 . . . . 74.24 111.114 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.542 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.741 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.62 -2.72 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.983 -0.553 . . . . 74.44 111.083 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.68 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.6 m -84.87 -48.43 9.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 72.23 110.856 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 21' ' ' SER . 5.0 mt -121.33 -49.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 70.05 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.985 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 62.7 m -27.86 119.0 0.26 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 60.12 110.906 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.04 141.18 17.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.254 . . . . 71.43 112.312 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.472 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.985 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -128.1 -8.85 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.759 -0.655 . . . . 73.01 110.885 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 6.6 p -86.15 65.09 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 51.02 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -58.45 4.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 64.24 110.833 -178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.01 42.18 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 60.02 110.89 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 65.53 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.47 ' CB ' ' HD2' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.85 57.23 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 72.44 112.322 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 85.05 -64.63 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.215 -0.448 . . . . 70.24 111.145 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.451 ' CG ' ' HB ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.416 ' O ' ' O ' ' A' ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . 0.416 ' O ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -54.66 -34.06 61.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.438 -0.801 . . . . 74.44 110.951 175.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.5 m -56.83 -64.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 64.4 111.172 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 32.2 m -54.56 -36.36 64.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 61.33 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.587 HG22 ' HG3' ' A' ' 13' ' ' DBU . 15.3 mt -62.62 -68.22 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.094 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.587 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.34 90.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.727 -0.67 . . . . 72.54 111.091 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.83 -47.71 31.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 42.51 112.504 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.2 t -50.21 -46.38 24.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.594 0.235 . . . . 72.2 111.109 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.0 t -71.96 -44.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.72 -0.673 . . . . 71.31 111.144 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.675 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.09 -2.08 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.956 -0.565 . . . . 63.54 111.073 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.8 -47.1 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 72.01 110.857 -179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.58 -48.85 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 71.7 m -26.86 123.75 0.23 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.607 0.718 . . . . 43.33 110.868 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.96 134.52 23.56 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 73.22 112.373 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.568 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.839 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.67 2.94 24.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.717 -0.674 . . . . 52.22 110.916 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 4.4 p -85.31 61.9 7.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 25.34 110.861 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.93 73.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 72.32 110.855 -178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 32' ' ' CYS . 10.9 ttp85 -135.25 -43.62 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.927 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 62.34 110.915 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.549 ' O3 ' ' CD1' ' A' ' 9' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.461 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 54.1 Cg_endo -69.66 57.14 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.258 . . . . 65.22 112.378 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.16 64.81 8.89 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.115 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CD1' ' O3 ' ' A' ' 1' ' ' 2KT . 84.8 m95 -56.51 -38.66 72.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 71.14 110.918 175.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.34 -56.94 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.04 111.165 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -54.34 -36.95 64.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.673 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.1 mt -62.59 -71.43 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 116.122 -0.49 . . . . 74.1 111.169 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.673 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.19 88.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.729 -0.669 . . . . 64.03 111.132 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.82 -48.08 36.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.706 -0.759 . . . . 64.12 112.453 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -49.96 -46.4 23.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 120.565 0.222 . . . . 73.02 111.087 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.66 -47.4 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.645 . . . . 64.44 111.129 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.556 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.715 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.78 -2.77 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.557 . . . . 63.15 111.077 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.662 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.3 m -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.88 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' C ' ' A' ' 21' ' ' SER . 5.1 mt -121.24 -49.06 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 74.2 110.927 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.002 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 62.9 m -27.82 119.63 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 63.14 110.924 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.93 140.53 18.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.644 2.23 . . . . 64.22 112.367 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.503 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 1.002 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 -6.5 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 73.33 110.878 -178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.9 p -86.39 67.33 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 73.51 110.847 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' C ' ' A' ' 26' ' ' DBU . 0.1 OUTLIER -67.53 -57.66 6.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 61.23 110.845 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.583 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 8.1 ttp180 -119.6 42.63 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 60.41 110.88 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.46 ' O1 ' ' C ' ' A' ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.46 ' C ' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 57.14 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 70.42 112.353 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.655 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.2 66.65 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.3 111.093 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.655 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -55.04 -35.1 64.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.452 -0.795 . . . . 64.33 110.902 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -56.48 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.43 111.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 m -54.44 -36.48 64.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.432 HG22 ' HG3' ' A' ' 13' ' ' DBU . 31.2 mt -62.56 -68.48 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.158 -0.473 . . . . 71.23 111.114 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.432 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.27 91.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.754 -0.657 . . . . 74.31 111.081 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.89 31.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 72.31 112.425 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.23 -46.08 24.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 120.598 0.237 . . . . 75.31 111.141 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.6 t -71.91 -44.19 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 61.54 111.156 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.18 -1.99 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 63.32 111.118 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.87 -47.05 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.882 -179.793 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt -121.55 -48.61 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.951 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.806 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 75.4 m -27.04 124.11 0.23 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 75.14 110.878 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.93 133.91 23.12 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.673 2.249 . . . . 72.22 112.34 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.564 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.806 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -114.43 7.11 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.763 -0.653 . . . . 63.31 110.881 -178.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 1.8 p -86.04 64.21 8.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.876 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -48.99 63.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 72.43 110.829 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' CD ' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.2 -35.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 71.04 110.864 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.41 110.887 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.557 ' C ' ' H ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.683 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.7 Cg_endo -69.78 16.24 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.68 2.253 . . . . 75.42 112.363 -178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 84.6 -65.12 0.06 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.234 -0.439 . . . . 61.22 111.099 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.684 ' O ' ' HG2' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.684 ' HG2' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -57.37 -35.58 70.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.449 -0.796 . . . . 73.33 110.925 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.3 m -62.4 -57.07 12.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 62.21 111.149 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.7 m -54.5 -36.9 64.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.932 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.664 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.3 mt -62.68 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.155 -0.475 . . . . 62.11 111.115 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.664 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.3 88.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.716 -0.675 . . . . 75.25 111.097 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.7 -47.94 37.9 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 72.42 112.479 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.9 t -50.05 -46.38 23.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.597 0.237 . . . . 74.41 111.104 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.4 t -71.83 -44.2 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.753 -0.658 . . . . 54.41 111.133 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.01 -2.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.537 . . . . 73.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.478 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.86 -47.01 10.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 51.12 110.868 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.65 -48.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 72.3 110.902 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.83 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 75.9 m -27.06 123.95 0.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 73.22 110.884 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.97 134.2 23.46 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 73.02 112.298 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.566 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.83 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 5.1 20.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.705 -0.679 . . . . 74.14 110.928 -178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 2.9 p -85.86 63.54 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 70.21 110.872 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -59.61 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 63.02 110.879 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 3.5 ptm85 -120.34 42.29 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 75.54 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.843 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.61 ' O1 ' ' H42' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.437 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 2' ' ' DBU . 53.1 Cg_endo -69.84 57.16 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.269 . . . . 75.5 112.305 -178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.21 64.8 8.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.199 -0.455 . . . . 52.51 111.089 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.548 ' O ' ' C ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.548 ' C ' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -58.37 -35.45 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 71.23 110.937 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 m -62.68 -57.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 55.44 111.196 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -54.48 -36.99 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.865 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.645 HG22 ' HG3' ' A' ' 13' ' ' DBU . 11.0 mt -62.66 -71.29 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.137 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.645 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.21 88.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 43.01 111.103 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 -47.89 37.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 73.13 112.46 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.14 -46.36 24.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.576 0.227 . . . . 64.11 111.114 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.3 t -71.91 -44.44 67.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.773 -0.649 . . . . 65.43 111.127 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.681 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.06 -2.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 44.33 111.055 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.69 -47.13 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 71.42 110.869 -179.753 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.8 mt -121.59 -48.86 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 63.13 110.933 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.86 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 70.5 m -26.94 123.51 0.23 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 70.11 110.894 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 134.79 23.63 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.702 2.268 . . . . 71.52 112.332 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.571 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.86 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 2.02 29.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 55.34 110.868 -178.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.9 p -85.48 63.92 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.44 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 65.31 110.86 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.561 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 15.0 ttm180 -120.96 42.95 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 64.11 110.833 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.899 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . 0.408 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.688 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.78 57.11 1.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.68 2.254 . . . . 71.04 112.351 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 85.17 -64.66 0.06 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.092 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.427 ' O ' ' O ' ' A' ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . 0.427 ' O ' ' O ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -54.66 -35.2 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 74.35 110.92 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.72 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 55.22 111.179 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 34.2 m -54.6 -36.39 64.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mt -62.6 -68.28 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.108 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.33 91.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 32.23 111.112 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.61 -47.85 32.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 53.54 112.455 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -50.17 -46.22 24.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 120.617 0.246 . . . . 73.3 111.12 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 21' ' ' SER . 35.9 t -71.92 -44.21 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.766 -0.652 . . . . 74.02 111.11 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.13 -2.16 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 54.33 111.114 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.72 -47.19 10.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 61.51 110.835 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.5 mt -121.43 -48.87 2.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 65.11 110.913 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.853 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 69.8 m -27.02 123.45 0.23 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 71.21 110.908 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -47.97 134.84 23.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 64.23 112.341 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.569 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.853 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.24 2.32 28.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.721 -0.672 . . . . 71.11 110.878 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 5.7 p -85.61 64.12 8.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 53.25 110.864 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -56.41 9.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 73.12 110.885 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -121.01 43.27 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.44 110.875 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 62.55 110.924 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 57.2 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 70.25 112.318 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.654 ' O ' ' C ' ' A' ' 5' ' ' DBU . . . -85.14 66.41 9.72 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.219 -0.446 . . . . 60.1 111.162 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.654 ' C ' ' O ' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -55.09 -35.05 64.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.452 -0.794 . . . . 64.1 110.917 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -56.44 -64.05 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.163 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 m -54.48 -36.34 64.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 51.23 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.646 HG22 ' HG3' ' A' ' 13' ' ' DBU . 12.2 mt -62.65 -68.54 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.168 -0.469 . . . . 44.02 111.12 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.646 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.38 90.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.733 -0.667 . . . . 71.14 111.048 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.96 32.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 73.11 112.453 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -50.21 -46.26 24.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 120.597 0.237 . . . . 65.52 111.139 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 21' ' ' SER . 37.1 t -72.07 -44.28 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.731 -0.668 . . . . 71.11 111.135 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.588 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.707 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -64.19 -2.18 1.96 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 65.13 111.093 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 19' ' ' DAL . 0.1 OUTLIER -85.68 -47.17 10.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.837 -179.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.7 mt -121.42 -49.32 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.864 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.91 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 68.3 m -26.66 122.89 0.23 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 74.01 110.905 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.95 135.51 23.5 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.671 2.247 . . . . 43.23 112.324 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.583 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.91 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -97.19 -1.04 45.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 63.33 110.892 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 12.1 p -85.34 63.66 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.872 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -54.86 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 75.11 110.847 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' DBU . 0.1 OUTLIER -122.8 41.54 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.85 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 43.33 110.912 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.624 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 53.6 Cg_endo -69.77 56.95 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 55.2 112.352 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 3' ' ' PRO . . . 79.09 -67.31 0.16 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.183 -0.462 . . . . 70.42 111.131 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.594 ' C ' ' H ' ' A' ' 7' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DAL . . . . . 0.594 ' H ' ' C ' ' A' ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -57.84 -48.84 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.462 -0.79 . . . . 64.41 110.893 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.5 m -51.54 -55.38 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.126 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -54.48 -37.97 65.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.926 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.657 HG22 ' HG3' ' A' ' 13' ' ' DBU . 16.7 mt -62.65 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.15 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' DBU . . . . . 0.657 ' HG3' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.83 89.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.74 -0.664 . . . . 62.0 111.082 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.53 -47.65 40.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 75.44 112.488 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.6 t -49.65 -47.2 21.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.593 0.235 . . . . 70.11 111.131 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -72.31 -47.11 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.759 -0.655 . . . . 61.31 111.107 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' DAL . . . . . 0.557 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.713 ' HA ' ' HG1' ' A' ' 26' ' ' DBU . . . -62.51 -2.59 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.987 -0.551 . . . . 72.3 111.1 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.678 ' C ' HD23 ' A' ' 22' ' ' LEU . 4.1 m -84.97 -48.03 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.881 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 21' ' ' SER . 5.4 mt -121.96 -49.28 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.897 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.874 ' O ' ' HG2' ' A' ' 26' ' ' DBU . 75.0 m -25.97 123.31 0.22 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.721 . . . . 73.44 110.91 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.97 135.51 23.57 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 2.277 . . . . 61.13 112.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' DBB . . . . . 0.572 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' DBU . . . . . 0.874 ' HG2' ' O ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -117.81 1.19 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.739 -0.664 . . . . 71.33 110.943 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.572 ' SG ' ' O ' ' A' ' 25' ' ' DBB . 3.3 p -85.79 63.64 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.884 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' C ' ' A' ' 26' ' ' DBU . 0.0 OUTLIER -55.1 -43.78 74.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 74.23 110.837 -178.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -131.84 -37.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.53 110.93 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.918 -179.935 . . . . . . . . 2 2 . 1 stop_ save_