data_1mqy_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 1mqy _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 ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 1.3700000000000001 111.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.99 98.2 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 123.988 3.125 . . . . 0.95999999999999996 112.94 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.61 -96.61 1.52 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.694 -0.765 . . . . 2.2799999999999998 112.271 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.0 85.04 0.31 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.587 -0.816 . . . . 1.96 112.699 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.56 26.21 4.02 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.909 -0.662 . . . . 1.5900000000000001 112.425 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.15 152.09 16.27 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.554 -0.831 . . . . 0.92000000000000004 112.552 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -120.35 168.39 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.22 -1.03 . . . . 1.1499999999999999 108.22 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.129 0.49 . . . . 0.23999999999999999 111.823 -176.813 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.06 0.457 . . . . 1.55 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.4 m -121.64 -70.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.34999999999999998 110.883 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 110.113 -0.328 . . . . 1.6599999999999999 110.113 177.093 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.434 0.635 . . . . 1.3700000000000001 111.662 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.639 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 23.7 Cg_exo -67.28 92.69 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.899 3.066 . . . . 0.95999999999999996 113.174 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.23 -32.42 3.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.849 -0.691 . . . . 2.2799999999999998 111.551 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.34 81.55 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.558 -0.617 . . . . 1.96 111.558 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.11 -30.66 0.11 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.654 -0.784 . . . . 1.5900000000000001 112.775 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 178.7 -151.3 10.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.621 -0.799 . . . . 0.92000000000000004 112.014 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.4 160.15 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.139 -0.689 . . . . 1.1499999999999999 109.139 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 53.5 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.787 0.327 . . . . 0.23999999999999999 111.602 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' SG ' ' A' ' 18' ' ' CYS . 11.9 pt-20 . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 121.277 0.56 . . . . 1.55 109.686 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 17' ' ' GLU . 88.0 m -129.57 -68.9 0.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.001 -0.999 . . . . 0.34999999999999998 111.623 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 120.602 -0.439 . . . . 1.6599999999999999 110.975 178.29 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.24 0.543 . . . . 1.3700000000000001 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 52.1 Cg_exo -55.82 106.02 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.99 3.126 . . . . 0.95999999999999996 112.155 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.71 28.91 6.26 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.839 -0.696 . . . . 2.2799999999999998 113.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.57 27.69 2.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.392 -0.908 . . . . 1.96 113.052 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.13 73.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.443 -0.884 . . . . 1.5900000000000001 112.467 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 117.33 152.7 9.59 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.246 -0.742 . . . . 0.92000000000000004 111.246 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.407 HG13 ' H ' ' A' ' 12' ' ' CYS . 3.0 t -108.35 165.83 4.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.536 -0.912 . . . . 1.1499999999999999 108.536 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 50.4 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 121.052 0.454 . . . . 0.23999999999999999 111.664 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.961 0.41 . . . . 1.55 110.253 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.8 m -135.28 -62.18 0.72 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.983 -0.553 . . . . 0.34999999999999998 110.821 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 110.209 -0.293 . . . . 1.6599999999999999 110.209 179.265 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 5' ' ' LEU . 75.2 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.129 0.49 . . . . 1.3700000000000001 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 1.065 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.5 Cg_endo -62.65 87.39 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.664 2.909 . . . . 0.95999999999999996 112.923 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.12 -91.36 0.26 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 2.2799999999999998 111.324 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.74 15.8 3.56 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.746 -0.74 . . . . 1.96 111.756 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.41 35.05 2.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.745 -0.74 . . . . 1.5900000000000001 112.654 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.02 170.85 12.84 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.687 -0.768 . . . . 0.92000000000000004 111.795 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 1.065 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.0 t -112.78 160.27 12.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.522 -0.548 . . . . 1.1499999999999999 109.522 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.56 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.8 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.23999999999999999 111.471 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.243 0.545 . . . . 1.55 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.7 m -130.13 -69.13 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.34999999999999998 111.905 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 1.6599999999999999 110.55 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 5' ' ' LEU . 50.2 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.014 0.435 . . . . 1.3700000000000001 111.34 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.98 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -62.21 91.68 0.12 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.429 2.753 . . . . 0.95999999999999996 112.193 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.6 -91.98 1.67 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.666 -0.778 . . . . 2.2799999999999998 112.574 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.82 88.31 0.33 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.629 -0.796 . . . . 1.96 112.649 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.48 30.92 2.72 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 1.5900000000000001 112.34 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.77 154.84 13.36 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.7 -0.762 . . . . 0.92000000000000004 112.206 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.98 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.5 t -123.94 153.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.269 -0.641 . . . . 1.1499999999999999 109.269 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.512 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 42.3 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 112.243 0.46 . . . . 0.23999999999999999 112.243 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 120.907 0.384 . . . . 1.55 110.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -125.76 -69.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.34999999999999998 111.629 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.69 -0.404 . . . . 1.6599999999999999 111.559 -177.086 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.934 0.397 . . . . 1.3700000000000001 111.637 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.6 Cg_exo -51.23 102.67 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.814 3.01 . . . . 0.95999999999999996 112.36 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 108.81 0.23 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.608 -0.724 . . . . 2.2799999999999998 111.749 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.39 -8.87 10.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.485 -0.864 . . . . 1.96 112.508 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.65 44.53 0.42 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.673 -0.775 . . . . 1.5900000000000001 111.798 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.659 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -175.69 150.01 10.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.334 -0.936 . . . . 0.92000000000000004 112.705 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.481 HG11 ' H ' ' A' ' 12' ' ' CYS . 2.6 t -109.94 166.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.142 -1.059 . . . . 1.1499999999999999 108.142 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' H ' HG11 ' A' ' 11' ' ' VAL . 33.8 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.144 0.497 . . . . 0.23999999999999999 111.924 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.976 0.417 . . . . 1.55 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -118.75 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.087 -0.506 . . . . 0.34999999999999998 110.578 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.925 -0.398 . . . . 1.6599999999999999 109.925 176.343 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 ' HA ' HD21 ' A' ' 5' ' ' LEU . 90.2 mt . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 121.341 0.591 . . . . 1.3700000000000001 111.412 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 1.035 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.9 Cg_endo -61.47 91.32 0.1 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.8 3.0 . . . . 0.95999999999999996 112.333 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.77 86.75 0.27 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.75 -0.738 . . . . 2.2799999999999998 112.569 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.32 38.2 95.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.061 -0.59 . . . . 1.96 113.074 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.93 24.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.313 -0.946 . . . . 1.5900000000000001 113.255 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 -162.81 16.82 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.683 -0.77 . . . . 0.92000000000000004 111.452 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 1.035 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.4 t -125.1 171.65 13.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.417 -0.586 . . . . 1.1499999999999999 109.417 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.23999999999999999 111.757 -177.638 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 3.0 pm0 . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 121.181 0.515 . . . . 1.55 109.938 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 98.2 m -126.44 -72.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.495 -0.775 . . . . 0.34999999999999998 111.248 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 120.624 0.25 . . . . 1.6599999999999999 111.075 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.43 0.633 . . . . 1.3700000000000001 111.575 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.699 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 24.3 Cg_exo -62.6 164.02 19.55 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.694 2.929 . . . . 0.95999999999999996 112.145 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.51 89.66 0.9 Allowed Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.925 -0.655 . . . . 2.2799999999999998 111.547 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.93 14.04 5.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.747 -0.74 . . . . 1.96 112.406 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.0 88.44 1.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.683 -0.77 . . . . 1.5900000000000001 112.684 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.69 151.81 8.73 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.809 -0.71 . . . . 0.92000000000000004 111.572 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.699 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.4 t -114.7 -175.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.159 -0.682 . . . . 1.1499999999999999 109.159 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 50.5 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.727 0.299 . . . . 0.23999999999999999 111.027 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-O 120.865 0.364 . . . . 1.55 110.69 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.1 m -122.89 -66.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.34 -0.391 . . . . 0.34999999999999998 110.878 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.362 0 N-CA-C 110.047 -0.353 . . . . 1.6599999999999999 110.047 176.297 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' HA ' HD21 ' A' ' 5' ' ' LEU . 59.5 mt . . . . . 0 CA--C 1.523 -0.085 0 N-CA-C 112.613 0.598 . . . . 1.3700000000000001 112.613 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 1.047 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 44.6 Cg_endo -70.9 90.49 0.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.351 2.701 . . . . 0.95999999999999996 111.812 174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.51 33.75 3.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.48 -0.866 . . . . 2.2799999999999998 113.304 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.48 57.99 0.22 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.634 -0.793 . . . . 1.96 112.408 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.91 -88.08 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.588 -0.605 . . . . 1.5900000000000001 111.588 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.94 -156.59 11.88 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.877 -0.889 . . . . 0.92000000000000004 110.877 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 1.047 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.9 t -125.45 175.84 7.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.693 -0.484 . . . . 1.1499999999999999 109.693 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' H ' HG11 ' A' ' 11' ' ' VAL . 42.7 t . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 120.496 0.189 . . . . 0.23999999999999999 111.345 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pm0 . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.236 0.541 . . . . 1.55 109.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.6 m -121.56 -62.67 1.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.34999999999999998 110.781 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.821 -0.172 . . . . 1.6599999999999999 110.949 177.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 111.788 0.292 . . . . 1.3700000000000001 111.788 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.509 ' HG3' HG11 ' A' ' 11' ' ' VAL . 36.8 Cg_exo -54.05 97.26 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 123.571 2.847 . . . . 0.95999999999999996 112.038 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 104.99 0.2 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.932 -0.651 . . . . 2.2799999999999998 111.808 -176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.13 -1.87 7.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.707 -0.758 . . . . 1.96 112.385 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.03 0.86 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.541 -0.837 . . . . 1.5900000000000001 111.845 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -174.99 166.4 38.04 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.545 -0.836 . . . . 0.92000000000000004 112.16 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.509 HG11 ' HG3' ' A' ' 6' ' ' PRO . 3.4 t -116.96 178.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.544 -0.91 . . . . 1.1499999999999999 108.544 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.23999999999999999 111.701 -177.52 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 18.8 pm0 . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.159 0.504 . . . . 1.55 109.956 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 82.3 m -122.36 -65.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.692 -0.685 . . . . 0.34999999999999998 111.174 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--N 1.327 -0.411 0 C-N-CA 120.994 -0.282 . . . . 1.6599999999999999 110.394 179.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 121.35 0.595 . . . . 1.3700000000000001 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HG3' ' HA ' ' A' ' 11' ' ' VAL . 77.2 Cg_exo -52.43 104.98 0.1 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 124.225 3.284 . . . . 0.95999999999999996 112.598 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.83 90.98 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.079 -0.964 . . . . 2.2799999999999998 111.43 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.39 23.32 3.2 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.945 -0.645 . . . . 1.96 111.976 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.01 99.2 2.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.558 -0.83 . . . . 1.5900000000000001 112.45 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.5 149.26 7.44 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.449 -0.66 . . . . 0.92000000000000004 111.449 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.475 ' HA ' ' HG3' ' A' ' 6' ' ' PRO . 1.6 t -114.64 175.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.181 -0.674 . . . . 1.1499999999999999 109.181 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 47.0 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.23999999999999999 111.38 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.186 -0.672 . . . . 1.55 109.186 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.0 m -122.09 -75.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.953 -1.021 . . . . 0.34999999999999998 111.095 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.709 0.29 . . . . 1.6599999999999999 110.753 178.694 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' HA ' HD21 ' A' ' 5' ' ' LEU . 50.7 mt . . . . . 0 CA--C 1.514 -0.427 0 CA-C-O 121.094 0.473 . . . . 1.3700000000000001 110.771 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.965 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 5.4 Cg_endo -53.02 125.01 16.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.676 2.917 . . . . 0.95999999999999996 112.667 -177.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.73 -160.68 12.07 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.454 -0.793 . . . . 2.2799999999999998 111.195 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.8 85.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.217 -0.516 . . . . 1.96 113.03 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.57 23.18 5.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.79 -0.719 . . . . 1.5900000000000001 113.062 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.98 149.99 19.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.517 -0.849 . . . . 0.92000000000000004 111.988 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.965 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.7 t -127.48 153.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.873 -0.417 . . . . 1.1499999999999999 109.873 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' N ' HG11 ' A' ' 11' ' ' VAL . 52.7 t . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.23999999999999999 111.804 -177.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.219 0.533 . . . . 1.55 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.1 m -134.01 -63.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.434 -0.803 . . . . 0.34999999999999998 111.809 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.619 -0.432 . . . . 1.6599999999999999 110.915 -179.493 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 44.0 mt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 1.3700000000000001 111.567 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 1.063 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 36.6 Cg_endo -66.46 85.27 0.28 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.384 2.723 . . . . 0.95999999999999996 112.378 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.86 -28.01 4.92 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.573 -0.822 . . . . 2.2799999999999998 112.149 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.27 90.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.811 -0.709 . . . . 1.96 112.4 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 41.61 0.41 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.5 -0.857 . . . . 1.5900000000000001 112.359 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 159.39 9.89 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.405 -0.903 . . . . 0.92000000000000004 111.777 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 1.063 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 18.5 t -114.28 158.75 14.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.824 -0.806 . . . . 1.1499999999999999 108.824 178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 41.9 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.01 0.433 . . . . 0.23999999999999999 111.701 -176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.917 0.389 . . . . 1.55 110.586 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -134.54 -72.4 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.044 -0.526 . . . . 0.34999999999999998 111.774 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.804 0.335 . . . . 1.6599999999999999 110.325 179.283 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.592 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.1 t . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.753 -0.091 . . . . 1.51 110.753 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.592 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.643 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 25.4 t80 -67.6 93.25 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.372 -0.377 . . . . 0.65000000000000002 110.653 177.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -118.38 96.33 49.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.271 -0.422 . . . . 1.3700000000000001 111.298 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.99 98.2 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 123.988 3.125 . . . . 0.95999999999999996 112.94 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.61 -96.61 1.52 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.694 -0.765 . . . . 2.2799999999999998 112.271 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.0 85.04 0.31 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.587 -0.816 . . . . 1.96 112.699 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.56 26.21 4.02 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.909 -0.662 . . . . 1.5900000000000001 112.425 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.15 152.09 16.27 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.554 -0.831 . . . . 0.92000000000000004 112.552 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.527 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 10.6 t -120.35 168.39 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.22 -1.03 . . . . 1.1499999999999999 108.22 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.7 t -58.5 99.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.129 0.49 . . . . 0.23999999999999999 111.823 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . 0.591 ' HG3' ' HE1' ' A' ' 3' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 38.7 mt -126.36 92.99 3.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.739 -0.664 . . . . 1.03 111.034 -174.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . 0.594 ' C ' ' HB2' ' A' ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.643 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 3.2 pm0 -87.44 -14.92 39.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.06 0.457 . . . . 1.55 110.251 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.4 m -121.64 -70.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.34999999999999998 110.883 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.32 -89.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.113 -0.328 . . . . 1.6599999999999999 110.113 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . 0.594 ' HB2' ' C ' ' A' ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.659 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 43.1 t . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.241 0.067 . . . . 1.51 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.659 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' HE1' ' SG ' ' A' ' 18' ' ' CYS . 24.2 t80 -60.96 101.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.216 0.322 . . . . 0.65000000000000002 110.787 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.3 mt -124.49 83.95 57.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.434 0.635 . . . . 1.3700000000000001 111.662 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.639 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 23.7 Cg_exo -67.28 92.69 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.899 3.066 . . . . 0.95999999999999996 113.174 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.23 -32.42 3.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.849 -0.691 . . . . 2.2799999999999998 111.551 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.34 81.55 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.558 -0.617 . . . . 1.96 111.558 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.11 -30.66 0.11 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.654 -0.784 . . . . 1.5900000000000001 112.775 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 178.7 -151.3 10.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.621 -0.799 . . . . 0.92000000000000004 112.014 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 t -126.4 160.15 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.139 -0.689 . . . . 1.1499999999999999 109.139 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 53.5 t -59.55 105.81 0.4 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.787 0.327 . . . . 0.23999999999999999 111.602 -175.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 27.4 mt -116.55 99.82 7.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.637 . . . . 1.03 110.3 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' SG ' ' A' ' 18' ' ' CYS . 11.9 pt-20 -89.1 -20.34 24.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.277 0.56 . . . . 1.55 109.686 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 88.0 m -129.57 -68.9 0.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.001 -0.999 . . . . 0.34999999999999998 111.623 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.1 mt -114.99 -79.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.602 -0.439 . . . . 1.6599999999999999 110.975 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.648 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 42.8 t . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.552 0.215 . . . . 1.51 111.503 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.648 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.714 ' HE1' ' HG2' ' A' ' 13' ' ' DBB . 18.1 t80 -59.01 106.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.65000000000000002 110.989 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.0 mt -125.67 87.8 55.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.24 0.543 . . . . 1.3700000000000001 111.283 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 52.1 Cg_exo -55.82 106.02 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.99 3.126 . . . . 0.95999999999999996 112.155 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.71 28.91 6.26 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.839 -0.696 . . . . 2.2799999999999998 113.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.57 27.69 2.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.392 -0.908 . . . . 1.96 113.052 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.13 73.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.443 -0.884 . . . . 1.5900000000000001 112.467 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 117.33 152.7 9.59 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.246 -0.742 . . . . 0.92000000000000004 111.246 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 3.0 t -108.35 165.83 4.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.536 -0.912 . . . . 1.1499999999999999 108.536 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 50.4 t -58.42 100.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.052 0.454 . . . . 0.23999999999999999 111.664 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . 0.855 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 31.4 mt -112.77 98.82 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.74 -0.664 . . . . 1.03 110.422 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . 0.402 ' C ' ' H ' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.855 ' HG3' ' HB2' ' A' ' 13' ' ' DBB . 12.2 pt-20 -108.06 -15.1 14.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.961 0.41 . . . . 1.55 110.253 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.8 m -135.28 -62.18 0.72 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.983 -0.553 . . . . 0.34999999999999998 110.821 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.72 -78.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 110.209 -0.293 . . . . 1.6599999999999999 110.209 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.669 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 38.1 t . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 111.152 0.056 . . . . 1.51 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.669 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.406 ' HE1' ' SG ' ' A' ' 18' ' ' CYS . 25.3 t80 -61.32 102.45 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.334 -0.394 . . . . 0.65000000000000002 111.025 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 5' ' ' LEU . 75.2 mt -126.38 91.83 46.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.129 0.49 . . . . 1.3700000000000001 110.915 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 1.065 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.5 Cg_endo -62.65 87.39 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.664 2.909 . . . . 0.95999999999999996 112.923 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.12 -91.36 0.26 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 2.2799999999999998 111.324 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.74 15.8 3.56 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.746 -0.74 . . . . 1.96 111.756 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.41 35.05 2.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.745 -0.74 . . . . 1.5900000000000001 112.654 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.02 170.85 12.84 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.687 -0.768 . . . . 0.92000000000000004 111.795 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 1.065 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.0 t -112.78 160.27 12.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.522 -0.548 . . . . 1.1499999999999999 109.522 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.56 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.8 t -58.11 112.39 1.51 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.23999999999999999 111.471 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 22.0 mt -114.46 99.19 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.138 -0.937 . . . . 1.03 111.145 -171.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . 0.402 ' C ' ' HB2' ' A' ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -98.55 -19.74 17.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.932 -0.576 . . . . 1.55 109.849 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 68.7 m -130.13 -69.13 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.34999999999999998 111.905 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mt -106.99 -76.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 1.6599999999999999 110.55 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . 0.402 ' HB2' ' C ' ' A' ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.658 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 110.014 -0.365 . . . . 1.51 110.014 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.658 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.702 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 29.5 t80 -59.43 102.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.65000000000000002 111.204 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 5' ' ' LEU . 50.2 mt -128.22 93.8 37.83 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.014 0.435 . . . . 1.3700000000000001 111.34 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.98 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -62.21 91.68 0.12 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.429 2.753 . . . . 0.95999999999999996 112.193 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.6 -91.98 1.67 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.666 -0.778 . . . . 2.2799999999999998 112.574 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.82 88.31 0.33 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.629 -0.796 . . . . 1.96 112.649 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.48 30.92 2.72 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 1.5900000000000001 112.34 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.77 154.84 13.36 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.7 -0.762 . . . . 0.92000000000000004 112.206 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.98 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.5 t -123.94 153.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.269 -0.641 . . . . 1.1499999999999999 109.269 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.512 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 42.3 t -52.46 108.05 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.243 0.46 . . . . 0.23999999999999999 112.243 -175.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . 0.604 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.2 mt -109.43 97.46 7.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.826 -0.624 . . . . 1.03 110.458 -173.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . 0.631 ' C ' ' HB2' ' A' ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.702 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 7.2 pt-20 -89.45 -24.21 21.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.061 -0.518 . . . . 1.55 110.171 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -125.76 -69.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.34999999999999998 111.629 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt -113.0 -75.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.69 -0.404 . . . . 1.6599999999999999 111.559 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . 0.631 ' HB2' ' C ' ' A' ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.554 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 119.113 -0.47 . . . . 1.51 109.744 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.554 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.45 ' H ' ' HB2' ' A' ' 2' ' ' DBB . 17.6 t80 -81.74 92.18 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.914 -0.402 . . . . 0.65000000000000002 109.914 173.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.5 99.37 51.5 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 1.3700000000000001 111.637 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.6 Cg_exo -51.23 102.67 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.814 3.01 . . . . 0.95999999999999996 112.36 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 108.81 0.23 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.608 -0.724 . . . . 2.2799999999999998 111.749 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.39 -8.87 10.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.485 -0.864 . . . . 1.96 112.508 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.65 44.53 0.42 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.673 -0.775 . . . . 1.5900000000000001 111.798 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.659 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -175.69 150.01 10.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.334 -0.936 . . . . 0.92000000000000004 112.705 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 2.6 t -109.94 166.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.142 -1.059 . . . . 1.1499999999999999 108.142 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' H ' HG11 ' A' ' 11' ' ' VAL . 33.8 t -59.46 99.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.144 0.497 . . . . 0.23999999999999999 111.924 -174.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.555 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 32.9 mt -125.34 94.41 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 1.03 110.286 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -87.0 -12.5 47.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.976 0.417 . . . . 1.55 110.512 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -118.75 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.087 -0.506 . . . . 0.34999999999999998 110.578 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -114.51 -82.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.925 -0.398 . . . . 1.6599999999999999 109.925 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.612 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.3 t . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.285 0.106 . . . . 1.51 111.285 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.612 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -69.57 87.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.65000000000000002 110.724 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' HA ' HD21 ' A' ' 5' ' ' LEU . 90.2 mt -118.17 92.2 42.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.341 0.591 . . . . 1.3700000000000001 111.412 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 1.035 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.9 Cg_endo -61.47 91.32 0.1 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.8 3.0 . . . . 0.95999999999999996 112.333 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.77 86.75 0.27 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.75 -0.738 . . . . 2.2799999999999998 112.569 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.32 38.2 95.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.061 -0.59 . . . . 1.96 113.074 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.93 24.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.313 -0.946 . . . . 1.5900000000000001 113.255 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 -162.81 16.82 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.683 -0.77 . . . . 0.92000000000000004 111.452 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 1.035 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.4 t -125.1 171.65 13.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.417 -0.586 . . . . 1.1499999999999999 109.417 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.82 95.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.23999999999999999 111.757 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 45.0 mt -122.84 90.99 3.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.866 -0.607 . . . . 1.03 109.659 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 3.0 pm0 -87.47 -13.39 43.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.181 0.515 . . . . 1.55 109.938 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 98.2 m -126.44 -72.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.495 -0.775 . . . . 0.34999999999999998 111.248 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.16 -80.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.624 0.25 . . . . 1.6599999999999999 111.075 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.593 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 42.4 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.792 -0.077 . . . . 1.51 110.792 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.593 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.507 ' HE1' ' HG3' ' A' ' 13' ' ' DBB . 27.2 t80 -70.91 87.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.65000000000000002 110.698 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . 0.411 ' O ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -118.11 86.41 26.28 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.43 0.633 . . . . 1.3700000000000001 111.575 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.699 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 24.3 Cg_exo -62.6 164.02 19.55 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.694 2.929 . . . . 0.95999999999999996 112.145 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.51 89.66 0.9 Allowed Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.925 -0.655 . . . . 2.2799999999999998 111.547 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.93 14.04 5.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.747 -0.74 . . . . 1.96 112.406 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.0 88.44 1.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.683 -0.77 . . . . 1.5900000000000001 112.684 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.477 ' HA3' ' N ' ' A' ' 1' ' ' CYS . . . 120.69 151.81 8.73 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.809 -0.71 . . . . 0.92000000000000004 111.572 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.699 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.4 t -114.7 -175.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.159 -0.682 . . . . 1.1499999999999999 109.159 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 50.5 t -69.37 94.1 0.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.727 0.299 . . . . 0.23999999999999999 111.027 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . 0.507 ' HG3' ' HE1' ' A' ' 3' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD11 ' HB ' ' A' ' 11' ' ' VAL . 67.8 mt -124.77 97.85 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 1.03 110.465 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -86.55 -11.7 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.281 -0.418 . . . . 1.55 110.69 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.1 m -122.89 -66.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.34 -0.391 . . . . 0.34999999999999998 110.878 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.16 -86.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.047 -0.353 . . . . 1.6599999999999999 110.047 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.684 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 119.602 -0.237 . . . . 1.51 110.467 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.684 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.425 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 20.3 t80 -65.52 87.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.419 0.628 . . . . 0.65000000000000002 110.819 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' HA ' HD21 ' A' ' 5' ' ' LEU . 59.5 mt -124.04 89.9 51.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 112.613 0.598 . . . . 1.3700000000000001 112.613 -176.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 1.047 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 44.6 Cg_endo -70.9 90.49 0.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.351 2.701 . . . . 0.95999999999999996 111.812 174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.51 33.75 3.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.48 -0.866 . . . . 2.2799999999999998 113.304 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.48 57.99 0.22 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.634 -0.793 . . . . 1.96 112.408 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.91 -88.08 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.588 -0.605 . . . . 1.5900000000000001 111.588 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.94 -156.59 11.88 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.877 -0.889 . . . . 0.92000000000000004 110.877 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 1.047 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.9 t -125.45 175.84 7.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.693 -0.484 . . . . 1.1499999999999999 109.693 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' H ' HG11 ' A' ' 11' ' ' VAL . 42.7 t -63.59 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.496 0.189 . . . . 0.23999999999999999 111.345 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD11 ' HB ' ' A' ' 11' ' ' VAL . 45.1 mt -122.29 100.5 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.598 -0.728 . . . . 1.03 110.369 -176.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' CD ' ' H3 ' ' A' ' 1' ' ' CYS . 18.3 pm0 -86.64 -15.35 39.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.236 0.541 . . . . 1.55 109.852 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.6 m -121.56 -62.67 1.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.34999999999999998 110.781 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.6 mt -121.06 -82.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.821 -0.172 . . . . 1.6599999999999999 110.949 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.622 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 37.9 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 111.084 0.031 . . . . 1.51 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.622 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.532 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 18.4 t80 -73.16 84.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 0.65000000000000002 111.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.9 101.5 53.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 1.3700000000000001 111.788 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.509 ' HG3' HG11 ' A' ' 11' ' ' VAL . 36.8 Cg_exo -54.05 97.26 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 123.571 2.847 . . . . 0.95999999999999996 112.038 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 104.99 0.2 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.932 -0.651 . . . . 2.2799999999999998 111.808 -176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.13 -1.87 7.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.707 -0.758 . . . . 1.96 112.385 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.03 0.86 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.541 -0.837 . . . . 1.5900000000000001 111.845 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -174.99 166.4 38.04 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.545 -0.836 . . . . 0.92000000000000004 112.16 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.761 ' HB ' HD13 ' A' ' 14' ' ' LEU . 3.4 t -116.96 178.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.544 -0.91 . . . . 1.1499999999999999 108.544 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.2 105.1 0.83 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.23999999999999999 111.701 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.761 HD13 ' HB ' ' A' ' 11' ' ' VAL . 39.6 mt -118.68 98.69 6.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.344 -0.844 . . . . 1.03 110.309 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 18.8 pm0 -87.57 -16.54 34.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.159 0.504 . . . . 1.55 109.956 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 82.3 m -122.36 -65.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.692 -0.685 . . . . 0.34999999999999998 111.174 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -116.18 -85.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.994 -0.282 . . . . 1.6599999999999999 110.394 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.555 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 43.9 t . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.808 -0.071 . . . . 1.51 110.808 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.555 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.537 ' HE1' ' HG3' ' A' ' 13' ' ' DBB . 23.1 t80 -70.58 89.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.38 . . . . 0.65000000000000002 110.701 177.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -123.14 86.8 51.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 121.35 0.595 . . . . 1.3700000000000001 111.235 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HG3' ' HA ' ' A' ' 11' ' ' VAL . 77.2 Cg_exo -52.43 104.98 0.1 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 124.225 3.284 . . . . 0.95999999999999996 112.598 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.83 90.98 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.079 -0.964 . . . . 2.2799999999999998 111.43 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.39 23.32 3.2 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.945 -0.645 . . . . 1.96 111.976 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.01 99.2 2.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.558 -0.83 . . . . 1.5900000000000001 112.45 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.5 149.26 7.44 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.449 -0.66 . . . . 0.92000000000000004 111.449 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.605 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 1.6 t -114.64 175.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.181 -0.674 . . . . 1.1499999999999999 109.181 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 47.0 t -68.34 91.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.23999999999999999 111.38 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . 0.537 ' HG3' ' HE1' ' A' ' 3' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 42.5 mt -129.76 94.94 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.54 . . . . 1.03 110.031 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.42 -24.76 24.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.186 -0.672 . . . . 1.55 109.186 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.0 m -122.09 -75.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.953 -1.021 . . . . 0.34999999999999998 111.095 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.75 -75.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.709 0.29 . . . . 1.6599999999999999 110.753 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.696 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.9 t . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 111.298 0.11 . . . . 1.51 111.298 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.696 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.546 ' HE1' ' SG ' ' A' ' 18' ' ' CYS . 30.3 t80 -63.03 101.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.65000000000000002 110.87 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' HA ' HD21 ' A' ' 5' ' ' LEU . 50.7 mt -120.32 90.43 45.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 121.094 0.473 . . . . 1.3700000000000001 110.771 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.965 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 5.4 Cg_endo -53.02 125.01 16.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.676 2.917 . . . . 0.95999999999999996 112.667 -177.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.73 -160.68 12.07 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.454 -0.793 . . . . 2.2799999999999998 111.195 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.8 85.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.217 -0.516 . . . . 1.96 113.03 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.57 23.18 5.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.79 -0.719 . . . . 1.5900000000000001 113.062 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.98 149.99 19.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.517 -0.849 . . . . 0.92000000000000004 111.988 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.965 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.7 t -127.48 153.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.873 -0.417 . . . . 1.1499999999999999 109.873 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' N ' HG11 ' A' ' 11' ' ' VAL . 52.7 t -56.91 115.01 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.23999999999999999 111.804 -177.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.554 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 24.5 mt -116.67 100.53 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.258 -0.883 . . . . 1.03 110.464 -171.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 6.3 pt-20 -89.38 -19.17 25.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.848 -0.614 . . . . 1.55 110.046 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.546 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 94.1 m -134.01 -63.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.434 -0.803 . . . . 0.34999999999999998 111.809 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.5 mt -115.04 -83.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.619 -0.432 . . . . 1.6599999999999999 110.915 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.702 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.5 t . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.307 0.098 . . . . 1.51 111.08 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' DBB . . . . . 0.702 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.62 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 25.8 t80 -62.2 99.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.65000000000000002 111.08 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 44.0 mt -127.19 88.63 53.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.475 0.655 . . . . 1.3700000000000001 111.567 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 1.063 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 36.6 Cg_endo -66.46 85.27 0.28 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.384 2.723 . . . . 0.95999999999999996 112.378 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.86 -28.01 4.92 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.573 -0.822 . . . . 2.2799999999999998 112.149 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.27 90.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.811 -0.709 . . . . 1.96 112.4 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 41.61 0.41 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.5 -0.857 . . . . 1.5900000000000001 112.359 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 159.39 9.89 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.405 -0.903 . . . . 0.92000000000000004 111.777 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 1.063 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 18.5 t -114.28 158.75 14.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.824 -0.806 . . . . 1.1499999999999999 108.824 178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 41.9 t -54.7 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.01 0.433 . . . . 0.23999999999999999 111.701 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 22.3 mt -117.31 96.34 5.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.743 -0.662 . . . . 1.03 110.313 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.62 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 5.9 pt-20 -87.77 -16.87 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.901 -0.59 . . . . 1.55 110.586 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -134.54 -72.4 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.044 -0.526 . . . . 0.34999999999999998 111.774 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.17 -71.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.804 0.335 . . . . 1.6599999999999999 110.325 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.66000000000000003 111.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.99 98.2 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 123.988 3.125 . . . . 0.72999999999999998 112.94 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.61 -96.61 1.52 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.694 -0.765 . . . . 2.2799999999999998 112.271 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.0 85.04 0.31 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.587 -0.816 . . . . 1.6299999999999999 112.699 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.56 26.21 4.02 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.909 -0.662 . . . . 1.5800000000000001 112.425 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.15 152.09 16.27 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.554 -0.831 . . . . 0.67000000000000004 112.552 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 12' ' ' CYS . 10.6 t -120.35 168.39 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.22 -1.03 . . . . 0.40999999999999998 108.22 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' H ' HG12 ' A' ' 11' ' ' VAL . 36.7 t . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.129 0.49 . . . . 0.23000000000000001 111.823 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.06 0.457 . . . . 1.52 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.4 m -121.64 -70.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.34999999999999998 110.883 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 110.113 -0.328 . . . . 1.03 110.113 177.093 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.434 0.635 . . . . 0.66000000000000003 111.662 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.64 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 23.7 Cg_exo -67.28 92.69 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.899 3.066 . . . . 0.72999999999999998 113.174 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.23 -32.42 3.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.849 -0.691 . . . . 2.2799999999999998 111.551 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.34 81.55 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.558 -0.617 . . . . 1.6299999999999999 111.558 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.11 -30.66 0.11 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.654 -0.784 . . . . 1.5800000000000001 112.775 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 178.7 -151.3 10.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.621 -0.799 . . . . 0.67000000000000004 112.014 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.4 160.15 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.139 -0.689 . . . . 0.40999999999999998 109.139 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.548 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 53.5 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.787 0.327 . . . . 0.23000000000000001 111.602 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' SG ' ' A' ' 18' ' ' CYS . 11.9 pt-20 . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 121.277 0.56 . . . . 1.52 109.686 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 17' ' ' GLU . 88.0 m -129.57 -68.9 0.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.001 -0.999 . . . . 0.34999999999999998 111.623 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 120.602 -0.439 . . . . 1.03 110.975 178.29 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.66000000000000003 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 52.1 Cg_exo -55.82 106.02 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.99 3.126 . . . . 0.72999999999999998 112.155 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.71 28.91 6.26 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.839 -0.696 . . . . 2.2799999999999998 113.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.57 27.69 2.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.392 -0.908 . . . . 1.6299999999999999 113.052 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.13 73.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.443 -0.884 . . . . 1.5800000000000001 112.467 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.33 152.7 9.59 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.246 -0.742 . . . . 0.67000000000000004 111.246 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' H ' ' A' ' 12' ' ' CYS . 3.0 t -108.35 165.83 4.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.536 -0.912 . . . . 0.40999999999999998 108.536 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 50.4 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 121.052 0.454 . . . . 0.23000000000000001 111.664 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.961 0.41 . . . . 1.52 110.253 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.8 m -135.28 -62.18 0.72 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.983 -0.553 . . . . 0.34999999999999998 110.821 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 110.209 -0.293 . . . . 1.03 110.209 179.265 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 75.2 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.129 0.49 . . . . 0.66000000000000003 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 1.059 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.5 Cg_endo -62.65 87.39 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.664 2.909 . . . . 0.72999999999999998 112.923 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.12 -91.36 0.26 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 2.2799999999999998 111.324 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.74 15.8 3.56 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.746 -0.74 . . . . 1.6299999999999999 111.756 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.41 35.05 2.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.745 -0.74 . . . . 1.5800000000000001 112.654 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.02 170.85 12.84 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.687 -0.768 . . . . 0.67000000000000004 111.795 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 1.059 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.0 t -112.78 160.27 12.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.522 -0.548 . . . . 0.40999999999999998 109.522 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.59 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.8 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.23000000000000001 111.471 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.243 0.545 . . . . 1.52 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.7 m -130.13 -69.13 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.34999999999999998 111.905 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 1.03 110.55 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.2 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.014 0.435 . . . . 0.66000000000000003 111.34 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.998 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -62.21 91.68 0.12 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.429 2.753 . . . . 0.72999999999999998 112.193 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.6 -91.98 1.67 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.666 -0.778 . . . . 2.2799999999999998 112.574 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.82 88.31 0.33 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.629 -0.796 . . . . 1.6299999999999999 112.649 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.48 30.92 2.72 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 1.5800000000000001 112.34 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.77 154.84 13.36 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.7 -0.762 . . . . 0.67000000000000004 112.206 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.998 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.5 t -123.94 153.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.269 -0.641 . . . . 0.40999999999999998 109.269 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 42.3 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 112.243 0.46 . . . . 0.23000000000000001 112.243 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 120.907 0.384 . . . . 1.52 110.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -125.76 -69.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.34999999999999998 111.629 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.69 -0.404 . . . . 1.03 111.559 -177.086 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.66000000000000003 111.637 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.666 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.6 Cg_exo -51.23 102.67 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.814 3.01 . . . . 0.72999999999999998 112.36 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 108.81 0.23 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.608 -0.724 . . . . 2.2799999999999998 111.749 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.39 -8.87 10.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.485 -0.864 . . . . 1.6299999999999999 112.508 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.65 44.53 0.42 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.673 -0.775 . . . . 1.5800000000000001 111.798 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -175.69 150.01 10.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.334 -0.936 . . . . 0.67000000000000004 112.705 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 12' ' ' CYS . 2.6 t -109.94 166.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.142 -1.059 . . . . 0.40999999999999998 108.142 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' H ' HG12 ' A' ' 11' ' ' VAL . 33.8 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.144 0.497 . . . . 0.23000000000000001 111.924 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.976 0.417 . . . . 1.52 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -118.75 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.087 -0.506 . . . . 0.34999999999999998 110.578 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.925 -0.398 . . . . 1.03 109.925 176.343 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 90.2 mt . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.66000000000000003 111.412 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 1.049 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.9 Cg_endo -61.47 91.32 0.1 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.8 3.0 . . . . 0.72999999999999998 112.333 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.77 86.75 0.27 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.75 -0.738 . . . . 2.2799999999999998 112.569 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.32 38.2 95.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.061 -0.59 . . . . 1.6299999999999999 113.074 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.93 24.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.313 -0.946 . . . . 1.5800000000000001 113.255 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 -162.81 16.82 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.683 -0.77 . . . . 0.67000000000000004 111.452 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 1.049 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.4 t -125.1 171.65 13.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.417 -0.586 . . . . 0.40999999999999998 109.417 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.568 ' H ' HG12 ' A' ' 11' ' ' VAL . 52.6 t . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.23000000000000001 111.757 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 3.0 pm0 . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 121.181 0.515 . . . . 1.52 109.938 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 98.2 m -126.44 -72.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.495 -0.775 . . . . 0.34999999999999998 111.248 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 120.624 0.25 . . . . 1.03 111.075 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.43 0.633 . . . . 0.66000000000000003 111.575 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 24.3 Cg_exo -62.6 164.02 19.55 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.694 2.929 . . . . 0.72999999999999998 112.145 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.51 89.66 0.9 Allowed Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.925 -0.655 . . . . 2.2799999999999998 111.547 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.93 14.04 5.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.747 -0.74 . . . . 1.6299999999999999 112.406 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.0 88.44 1.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.683 -0.77 . . . . 1.5800000000000001 112.684 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.69 151.81 8.73 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.809 -0.71 . . . . 0.67000000000000004 111.572 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.783 HG12 ' H ' ' A' ' 12' ' ' CYS . 2.4 t -114.7 -175.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.159 -0.682 . . . . 0.40999999999999998 109.159 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.783 ' H ' HG12 ' A' ' 11' ' ' VAL . 50.5 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.727 0.299 . . . . 0.23000000000000001 111.027 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-O 120.865 0.364 . . . . 1.52 110.69 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.1 m -122.89 -66.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.34 -0.391 . . . . 0.34999999999999998 110.878 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.362 0 N-CA-C 110.047 -0.353 . . . . 1.03 110.047 176.297 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 59.5 mt . . . . . 0 CA--C 1.523 -0.085 0 N-CA-C 112.613 0.598 . . . . 0.66000000000000003 112.613 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 1.055 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 44.6 Cg_endo -70.9 90.49 0.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.351 2.701 . . . . 0.72999999999999998 111.812 174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.51 33.75 3.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.48 -0.866 . . . . 2.2799999999999998 113.304 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.48 57.99 0.22 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.634 -0.793 . . . . 1.6299999999999999 112.408 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.91 -88.08 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.588 -0.605 . . . . 1.5800000000000001 111.588 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.94 -156.59 11.88 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.877 -0.889 . . . . 0.67000000000000004 110.877 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 1.055 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.9 t -125.45 175.84 7.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.693 -0.484 . . . . 0.40999999999999998 109.693 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.665 ' H ' HG12 ' A' ' 11' ' ' VAL . 42.7 t . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 120.496 0.189 . . . . 0.23000000000000001 111.345 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 18.3 pm0 . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.236 0.541 . . . . 1.52 109.852 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 96.6 m -121.56 -62.67 1.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.34999999999999998 110.781 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.821 -0.172 . . . . 1.03 110.949 177.891 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.66000000000000003 111.788 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 36.8 Cg_exo -54.05 97.26 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 123.571 2.847 . . . . 0.72999999999999998 112.038 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 104.99 0.2 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.932 -0.651 . . . . 2.2799999999999998 111.808 -176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.13 -1.87 7.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.707 -0.758 . . . . 1.6299999999999999 112.385 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.03 0.86 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.541 -0.837 . . . . 1.5800000000000001 111.845 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -174.99 166.4 38.04 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.545 -0.836 . . . . 0.67000000000000004 112.16 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 12' ' ' CYS . 3.4 t -116.96 178.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.544 -0.91 . . . . 0.40999999999999998 108.544 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.7 ' H ' HG12 ' A' ' 11' ' ' VAL . 48.7 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.23000000000000001 111.701 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 18.8 pm0 . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.159 0.504 . . . . 1.52 109.956 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 82.3 m -122.36 -65.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.692 -0.685 . . . . 0.34999999999999998 111.174 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--N 1.327 -0.411 0 C-N-CA 120.994 -0.282 . . . . 1.03 110.394 179.48 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 121.35 0.595 . . . . 0.66000000000000003 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 77.2 Cg_exo -52.43 104.98 0.1 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 124.225 3.284 . . . . 0.72999999999999998 112.598 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.83 90.98 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.079 -0.964 . . . . 2.2799999999999998 111.43 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.39 23.32 3.2 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.945 -0.645 . . . . 1.6299999999999999 111.976 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.01 99.2 2.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.558 -0.83 . . . . 1.5800000000000001 112.45 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.5 149.26 7.44 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.449 -0.66 . . . . 0.67000000000000004 111.449 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 12' ' ' CYS . 1.6 t -114.64 175.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.181 -0.674 . . . . 0.40999999999999998 109.181 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.57 ' H ' HG12 ' A' ' 11' ' ' VAL . 47.0 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.23000000000000001 111.38 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.186 -0.672 . . . . 1.52 109.186 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.0 m -122.09 -75.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.953 -1.021 . . . . 0.34999999999999998 111.095 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.709 0.29 . . . . 1.03 110.753 178.694 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.7 mt . . . . . 0 CA--C 1.514 -0.427 0 CA-C-O 121.094 0.473 . . . . 0.66000000000000003 110.771 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.984 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 5.4 Cg_endo -53.02 125.01 16.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.676 2.917 . . . . 0.72999999999999998 112.667 -177.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.73 -160.68 12.07 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.454 -0.793 . . . . 2.2799999999999998 111.195 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.8 85.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.217 -0.516 . . . . 1.6299999999999999 113.03 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.57 23.18 5.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.79 -0.719 . . . . 1.5800000000000001 113.062 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.98 149.99 19.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.517 -0.849 . . . . 0.67000000000000004 111.988 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.984 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.7 t -127.48 153.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.873 -0.417 . . . . 0.40999999999999998 109.873 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.7 t . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.23000000000000001 111.804 -177.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.219 0.533 . . . . 1.52 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.1 m -134.01 -63.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.434 -0.803 . . . . 0.34999999999999998 111.809 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.619 -0.432 . . . . 1.03 110.915 -179.493 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 44.0 mt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.66000000000000003 111.567 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 1.068 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 36.6 Cg_endo -66.46 85.27 0.28 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.384 2.723 . . . . 0.72999999999999998 112.378 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.86 -28.01 4.92 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.573 -0.822 . . . . 2.2799999999999998 112.149 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.27 90.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.811 -0.709 . . . . 1.6299999999999999 112.4 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 41.61 0.41 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.5 -0.857 . . . . 1.5800000000000001 112.359 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 159.39 9.89 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.405 -0.903 . . . . 0.67000000000000004 111.777 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 1.068 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 18.5 t -114.28 158.75 14.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.824 -0.806 . . . . 0.40999999999999998 108.824 178.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 41.9 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.01 0.433 . . . . 0.23000000000000001 111.701 -176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.917 0.389 . . . . 1.52 110.586 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -134.54 -72.4 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.044 -0.526 . . . . 0.34999999999999998 111.774 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.804 0.335 . . . . 1.03 110.325 179.283 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.618 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.1 t . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.753 -0.091 . . . . 1.1499999999999999 110.753 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.618 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.657 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 25.4 t80 -67.6 93.25 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.372 -0.377 . . . . 0.56999999999999995 110.653 177.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -118.38 96.33 49.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.271 -0.422 . . . . 0.66000000000000003 111.298 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.99 98.2 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 123.988 3.125 . . . . 0.72999999999999998 112.94 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.61 -96.61 1.52 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.694 -0.765 . . . . 2.2799999999999998 112.271 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.0 85.04 0.31 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.587 -0.816 . . . . 1.6299999999999999 112.699 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.56 26.21 4.02 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.909 -0.662 . . . . 1.5800000000000001 112.425 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.15 152.09 16.27 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.554 -0.831 . . . . 0.67000000000000004 112.552 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.61 ' HB ' HD12 ' A' ' 14' ' ' LEU . 10.6 t -120.35 168.39 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.22 -1.03 . . . . 0.40999999999999998 108.22 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' H ' HG12 ' A' ' 11' ' ' VAL . 36.7 t -58.5 99.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.129 0.49 . . . . 0.23000000000000001 111.823 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 11' ' ' VAL . 38.7 mt -126.36 92.99 3.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.739 -0.664 . . . . 0.17999999999999999 111.034 -174.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.657 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 3.2 pm0 -87.44 -14.92 39.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.06 0.457 . . . . 1.52 110.251 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.4 m -121.64 -70.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.34999999999999998 110.883 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.32 -89.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.113 -0.328 . . . . 1.03 110.113 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.676 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 43.1 t . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.241 0.067 . . . . 1.1499999999999999 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.676 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' HE1' ' SG ' ' A' ' 18' ' ' CYS . 24.2 t80 -60.96 101.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.216 0.322 . . . . 0.56999999999999995 110.787 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.503 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.3 mt -124.49 83.95 57.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.434 0.635 . . . . 0.66000000000000003 111.662 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 23.7 Cg_exo -67.28 92.69 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.899 3.066 . . . . 0.72999999999999998 113.174 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.23 -32.42 3.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.849 -0.691 . . . . 2.2799999999999998 111.551 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.34 81.55 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.558 -0.617 . . . . 1.6299999999999999 111.558 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.11 -30.66 0.11 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.654 -0.784 . . . . 1.5800000000000001 112.775 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 178.7 -151.3 10.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.621 -0.799 . . . . 0.67000000000000004 112.014 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.61 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 t -126.4 160.15 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.139 -0.689 . . . . 0.40999999999999998 109.139 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.548 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 53.5 t -59.55 105.81 0.4 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.787 0.327 . . . . 0.23000000000000001 111.602 -175.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 27.4 mt -116.55 99.82 7.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.637 . . . . 0.17999999999999999 110.3 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' SG ' ' A' ' 18' ' ' CYS . 11.9 pt-20 -89.1 -20.34 24.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.277 0.56 . . . . 1.52 109.686 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 88.0 m -129.57 -68.9 0.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.001 -0.999 . . . . 0.34999999999999998 111.623 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.1 mt -114.99 -79.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.602 -0.439 . . . . 1.03 110.975 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.674 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 42.8 t . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.552 0.215 . . . . 1.1499999999999999 111.503 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.674 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.411 ' H ' ' HB3' ' A' ' 2' ' ' DBB . 18.1 t80 -59.01 106.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.56999999999999995 110.989 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.521 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.0 mt -125.67 87.8 55.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.24 0.543 . . . . 0.66000000000000003 111.283 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 52.1 Cg_exo -55.82 106.02 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.99 3.126 . . . . 0.72999999999999998 112.155 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.71 28.91 6.26 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.839 -0.696 . . . . 2.2799999999999998 113.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.57 27.69 2.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.392 -0.908 . . . . 1.6299999999999999 113.052 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.13 73.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.443 -0.884 . . . . 1.5800000000000001 112.467 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.33 152.7 9.59 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.246 -0.742 . . . . 0.67000000000000004 111.246 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 3.0 t -108.35 165.83 4.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.536 -0.912 . . . . 0.40999999999999998 108.536 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 4' ' ' DBB . 50.4 t -58.42 100.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.052 0.454 . . . . 0.23000000000000001 111.664 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DBB . . . . . 0.906 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 31.4 mt -112.77 98.82 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.74 -0.664 . . . . 0.17999999999999999 110.422 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.906 ' HG3' ' HB2' ' A' ' 13' ' ' DBB . 12.2 pt-20 -108.06 -15.1 14.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.961 0.41 . . . . 1.52 110.253 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.8 m -135.28 -62.18 0.72 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.983 -0.553 . . . . 0.34999999999999998 110.821 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.72 -78.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 110.209 -0.293 . . . . 1.03 110.209 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.684 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 38.1 t . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 111.152 0.056 . . . . 1.1499999999999999 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.684 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' H ' ' HB3' ' A' ' 2' ' ' DBB . 25.3 t80 -61.32 102.45 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.334 -0.394 . . . . 0.56999999999999995 111.025 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 75.2 mt -126.38 91.83 46.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.129 0.49 . . . . 0.66000000000000003 110.915 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.059 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.5 Cg_endo -62.65 87.39 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.664 2.909 . . . . 0.72999999999999998 112.923 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.12 -91.36 0.26 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 2.2799999999999998 111.324 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.74 15.8 3.56 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.746 -0.74 . . . . 1.6299999999999999 111.756 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.41 35.05 2.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.745 -0.74 . . . . 1.5800000000000001 112.654 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.02 170.85 12.84 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.687 -0.768 . . . . 0.67000000000000004 111.795 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 1.059 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.0 t -112.78 160.27 12.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.522 -0.548 . . . . 0.40999999999999998 109.522 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.59 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.8 t -58.11 112.39 1.51 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.23000000000000001 111.471 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 22.0 mt -114.46 99.19 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.138 -0.937 . . . . 0.17999999999999999 111.145 -171.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -98.55 -19.74 17.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.932 -0.576 . . . . 1.52 109.849 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 68.7 m -130.13 -69.13 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.34999999999999998 111.905 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mt -106.99 -76.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 1.03 110.55 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.679 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 110.014 -0.365 . . . . 1.1499999999999999 110.014 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.679 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.704 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 29.5 t80 -59.43 102.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.56999999999999995 111.204 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.42 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.2 mt -128.22 93.8 37.83 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.014 0.435 . . . . 0.66000000000000003 111.34 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.998 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -62.21 91.68 0.12 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.429 2.753 . . . . 0.72999999999999998 112.193 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.6 -91.98 1.67 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.666 -0.778 . . . . 2.2799999999999998 112.574 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.82 88.31 0.33 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.629 -0.796 . . . . 1.6299999999999999 112.649 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.48 30.92 2.72 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 1.5800000000000001 112.34 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.77 154.84 13.36 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.7 -0.762 . . . . 0.67000000000000004 112.206 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.998 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.5 t -123.94 153.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.269 -0.641 . . . . 0.40999999999999998 109.269 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 42.3 t -52.46 108.05 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.243 0.46 . . . . 0.23000000000000001 112.243 -175.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DBB . . . . . 0.642 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD12 ' HB ' ' A' ' 11' ' ' VAL . 37.2 mt -109.43 97.46 7.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.826 -0.624 . . . . 0.17999999999999999 110.458 -173.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' DHA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.704 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 7.2 pt-20 -89.45 -24.21 21.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.061 -0.518 . . . . 1.52 110.171 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -125.76 -69.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.34999999999999998 111.629 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt -113.0 -75.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.69 -0.404 . . . . 1.03 111.559 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TEE . . . . . 0.464 ' HB2' ' HB1' ' A' ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.588 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 119.113 -0.47 . . . . 1.1499999999999999 109.744 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.588 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.421 ' HE1' ' HG1' ' A' ' 13' ' ' DBB . 17.6 t80 -81.74 92.18 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.914 -0.402 . . . . 0.56999999999999995 109.914 173.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.493 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.5 99.37 51.5 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.66000000000000003 111.637 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.666 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.6 Cg_exo -51.23 102.67 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.814 3.01 . . . . 0.72999999999999998 112.36 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 108.81 0.23 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.608 -0.724 . . . . 2.2799999999999998 111.749 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.39 -8.87 10.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.485 -0.864 . . . . 1.6299999999999999 112.508 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.65 44.53 0.42 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.673 -0.775 . . . . 1.5800000000000001 111.798 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -175.69 150.01 10.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.334 -0.936 . . . . 0.67000000000000004 112.705 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 2.6 t -109.94 166.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.142 -1.059 . . . . 0.40999999999999998 108.142 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 4' ' ' DBB . 33.8 t -59.46 99.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.144 0.497 . . . . 0.23000000000000001 111.924 -174.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DBB . . . . . 0.421 ' HG1' ' HE1' ' A' ' 3' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 32.9 mt -125.34 94.41 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.17999999999999999 110.286 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 1.3 pm0 -87.0 -12.5 47.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.976 0.417 . . . . 1.52 110.512 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -118.75 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.087 -0.506 . . . . 0.34999999999999998 110.578 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -114.51 -82.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.925 -0.398 . . . . 1.03 109.925 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.632 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.3 t . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.285 0.106 . . . . 1.1499999999999999 111.285 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.632 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -69.57 87.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.56999999999999995 110.724 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 90.2 mt -118.17 92.2 42.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.341 0.591 . . . . 0.66000000000000003 111.412 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.049 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.9 Cg_endo -61.47 91.32 0.1 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.8 3.0 . . . . 0.72999999999999998 112.333 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.77 86.75 0.27 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.75 -0.738 . . . . 2.2799999999999998 112.569 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.32 38.2 95.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.061 -0.59 . . . . 1.6299999999999999 113.074 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.93 24.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.313 -0.946 . . . . 1.5800000000000001 113.255 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 -162.81 16.82 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.683 -0.77 . . . . 0.67000000000000004 111.452 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 1.049 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.4 t -125.1 171.65 13.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.417 -0.586 . . . . 0.40999999999999998 109.417 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.568 ' H ' HG12 ' A' ' 11' ' ' VAL . 52.6 t -60.82 95.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.23000000000000001 111.757 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' HB ' ' A' ' 11' ' ' VAL . 45.0 mt -122.84 90.99 3.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.866 -0.607 . . . . 0.17999999999999999 109.659 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 3.0 pm0 -87.47 -13.39 43.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.181 0.515 . . . . 1.52 109.938 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 98.2 m -126.44 -72.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.495 -0.775 . . . . 0.34999999999999998 111.248 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.16 -80.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.624 0.25 . . . . 1.03 111.075 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.613 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 42.4 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.792 -0.077 . . . . 1.1499999999999999 110.792 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.613 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.91 87.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.56999999999999995 110.698 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.43 ' O ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -118.11 86.41 26.28 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.43 0.633 . . . . 0.66000000000000003 111.575 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 24.3 Cg_exo -62.6 164.02 19.55 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.694 2.929 . . . . 0.72999999999999998 112.145 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.51 89.66 0.9 Allowed Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.925 -0.655 . . . . 2.2799999999999998 111.547 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.93 14.04 5.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.747 -0.74 . . . . 1.6299999999999999 112.406 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.0 88.44 1.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.683 -0.77 . . . . 1.5800000000000001 112.684 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' HA3' ' N ' ' A' ' 1' ' ' CYS . . . 120.69 151.81 8.73 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.809 -0.71 . . . . 0.67000000000000004 111.572 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.783 HG12 ' H ' ' A' ' 12' ' ' CYS . 2.4 t -114.7 -175.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.159 -0.682 . . . . 0.40999999999999998 109.159 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.783 ' H ' HG12 ' A' ' 11' ' ' VAL . 50.5 t -69.37 94.1 0.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.727 0.299 . . . . 0.23000000000000001 111.027 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HB ' ' A' ' 11' ' ' VAL . 67.8 mt -124.77 97.85 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.17999999999999999 110.465 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -86.55 -11.7 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.281 -0.418 . . . . 1.52 110.69 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.1 m -122.89 -66.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.34 -0.391 . . . . 0.34999999999999998 110.878 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.16 -86.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.047 -0.353 . . . . 1.03 110.047 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.708 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 119.602 -0.237 . . . . 1.1499999999999999 110.467 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.708 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 20.3 t80 -65.52 87.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.419 0.628 . . . . 0.56999999999999995 110.819 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 59.5 mt -124.04 89.9 51.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 112.613 0.598 . . . . 0.66000000000000003 112.613 -176.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.055 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 44.6 Cg_endo -70.9 90.49 0.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.351 2.701 . . . . 0.72999999999999998 111.812 174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.51 33.75 3.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.48 -0.866 . . . . 2.2799999999999998 113.304 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.48 57.99 0.22 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.634 -0.793 . . . . 1.6299999999999999 112.408 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.91 -88.08 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.588 -0.605 . . . . 1.5800000000000001 111.588 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.94 -156.59 11.88 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.877 -0.889 . . . . 0.67000000000000004 110.877 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 1.055 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.9 t -125.45 175.84 7.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.693 -0.484 . . . . 0.40999999999999998 109.693 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.665 ' H ' HG12 ' A' ' 11' ' ' VAL . 42.7 t -63.59 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.496 0.189 . . . . 0.23000000000000001 111.345 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD12 ' HB ' ' A' ' 11' ' ' VAL . 45.1 mt -122.29 100.5 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.598 -0.728 . . . . 0.17999999999999999 110.369 -176.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 18.3 pm0 -86.64 -15.35 39.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.236 0.541 . . . . 1.52 109.852 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 96.6 m -121.56 -62.67 1.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.34999999999999998 110.781 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.6 mt -121.06 -82.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.821 -0.172 . . . . 1.03 110.949 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.644 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 37.9 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 111.084 0.031 . . . . 1.1499999999999999 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.644 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.535 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 18.4 t80 -73.16 84.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 0.56999999999999995 111.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.9 101.5 53.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.66000000000000003 111.788 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 36.8 Cg_exo -54.05 97.26 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 123.571 2.847 . . . . 0.72999999999999998 112.038 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 104.99 0.2 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.932 -0.651 . . . . 2.2799999999999998 111.808 -176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.13 -1.87 7.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.707 -0.758 . . . . 1.6299999999999999 112.385 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.03 0.86 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.541 -0.837 . . . . 1.5800000000000001 111.845 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.45 ' HA3' ' H3 ' ' A' ' 1' ' ' CYS . . . -174.99 166.4 38.04 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.545 -0.836 . . . . 0.67000000000000004 112.16 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.769 ' HB ' HD12 ' A' ' 14' ' ' LEU . 3.4 t -116.96 178.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.544 -0.91 . . . . 0.40999999999999998 108.544 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.7 ' H ' HG12 ' A' ' 11' ' ' VAL . 48.7 t -64.2 105.1 0.83 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.23000000000000001 111.701 -177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.769 HD12 ' HB ' ' A' ' 11' ' ' VAL . 39.6 mt -118.68 98.69 6.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.344 -0.844 . . . . 0.17999999999999999 110.309 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 18.8 pm0 -87.57 -16.54 34.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.159 0.504 . . . . 1.52 109.956 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 82.3 m -122.36 -65.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.692 -0.685 . . . . 0.34999999999999998 111.174 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -116.18 -85.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.994 -0.282 . . . . 1.03 110.394 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 43.9 t . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.808 -0.071 . . . . 1.1499999999999999 110.808 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.579 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.433 ' H ' ' HB3' ' A' ' 2' ' ' DBB . 23.1 t80 -70.58 89.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.38 . . . . 0.56999999999999995 110.701 177.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.482 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -123.14 86.8 51.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 121.35 0.595 . . . . 0.66000000000000003 111.235 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 77.2 Cg_exo -52.43 104.98 0.1 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 124.225 3.284 . . . . 0.72999999999999998 112.598 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.83 90.98 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.079 -0.964 . . . . 2.2799999999999998 111.43 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.39 23.32 3.2 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.945 -0.645 . . . . 1.6299999999999999 111.976 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.01 99.2 2.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.558 -0.83 . . . . 1.5800000000000001 112.45 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.5 149.26 7.44 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.449 -0.66 . . . . 0.67000000000000004 111.449 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.632 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 1.6 t -114.64 175.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.181 -0.674 . . . . 0.40999999999999998 109.181 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.57 ' H ' HG12 ' A' ' 11' ' ' VAL . 47.0 t -68.34 91.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.23000000000000001 111.38 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 42.5 mt -129.76 94.94 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.54 . . . . 0.17999999999999999 110.031 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.42 -24.76 24.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.186 -0.672 . . . . 1.52 109.186 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.0 m -122.09 -75.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.953 -1.021 . . . . 0.34999999999999998 111.095 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.75 -75.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.709 0.29 . . . . 1.03 110.753 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.712 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.9 t . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 111.298 0.11 . . . . 1.1499999999999999 111.298 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.712 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 30.3 t80 -63.03 101.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.56999999999999995 110.87 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.43 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.7 mt -120.32 90.43 45.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 121.094 0.473 . . . . 0.66000000000000003 110.771 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.984 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 5.4 Cg_endo -53.02 125.01 16.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.676 2.917 . . . . 0.72999999999999998 112.667 -177.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.73 -160.68 12.07 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.454 -0.793 . . . . 2.2799999999999998 111.195 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.8 85.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.217 -0.516 . . . . 1.6299999999999999 113.03 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.57 23.18 5.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.79 -0.719 . . . . 1.5800000000000001 113.062 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.98 149.99 19.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.517 -0.849 . . . . 0.67000000000000004 111.988 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.984 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.7 t -127.48 153.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.873 -0.417 . . . . 0.40999999999999998 109.873 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.7 t -56.91 115.01 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.23000000000000001 111.804 -177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.573 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 24.5 mt -116.67 100.53 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.258 -0.883 . . . . 0.17999999999999999 110.464 -171.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 6.3 pt-20 -89.38 -19.17 25.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.848 -0.614 . . . . 1.52 110.046 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.545 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 94.1 m -134.01 -63.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.434 -0.803 . . . . 0.34999999999999998 111.809 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.5 mt -115.04 -83.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.619 -0.432 . . . . 1.03 110.915 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.718 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.5 t . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.307 0.098 . . . . 1.1499999999999999 111.08 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' DBB . . . . . 0.718 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.637 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 25.8 t80 -62.2 99.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.56999999999999995 111.08 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DBB . . . . . 0.469 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 44.0 mt -127.19 88.63 53.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.475 0.655 . . . . 0.66000000000000003 111.567 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 1.068 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 36.6 Cg_endo -66.46 85.27 0.28 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.384 2.723 . . . . 0.72999999999999998 112.378 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.86 -28.01 4.92 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.573 -0.822 . . . . 2.2799999999999998 112.149 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.27 90.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.811 -0.709 . . . . 1.6299999999999999 112.4 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 41.61 0.41 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.5 -0.857 . . . . 1.5800000000000001 112.359 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 159.39 9.89 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.405 -0.903 . . . . 0.67000000000000004 111.777 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 1.068 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 18.5 t -114.28 158.75 14.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.824 -0.806 . . . . 0.40999999999999998 108.824 178.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 4' ' ' DBB . 41.9 t -54.7 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.01 0.433 . . . . 0.23000000000000001 111.701 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.586 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 22.3 mt -117.31 96.34 5.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.743 -0.662 . . . . 0.17999999999999999 110.313 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 5.9 pt-20 -87.77 -16.87 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.901 -0.59 . . . . 1.52 110.586 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -134.54 -72.4 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.044 -0.526 . . . . 0.34999999999999998 111.774 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.17 -71.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.804 0.335 . . . . 1.03 110.325 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.66 111.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.99 98.2 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 123.988 3.125 . . . . 0.73 112.94 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.61 -96.61 1.52 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.694 -0.765 . . . . 2.28 112.271 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.0 85.04 0.31 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.587 -0.816 . . . . 1.63 112.699 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.56 26.21 4.02 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.909 -0.662 . . . . 1.58 112.425 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.15 152.09 16.27 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.554 -0.831 . . . . 0.67 112.552 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 12' ' ' CYS . 10.6 t -120.35 168.39 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.22 -1.03 . . . . 0.41 108.22 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' H ' HG12 ' A' ' 11' ' ' VAL . 36.7 t . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.129 0.49 . . . . 0.23 111.823 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.06 0.457 . . . . 1.52 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.4 m -121.64 -70.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.35 110.883 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 110.113 -0.328 . . . . 1.03 110.113 177.093 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.434 0.635 . . . . 0.66 111.662 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.64 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 23.7 Cg_exo -67.28 92.69 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.899 3.066 . . . . 0.73 113.174 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.23 -32.42 3.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.849 -0.691 . . . . 2.28 111.551 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.34 81.55 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.558 -0.617 . . . . 1.63 111.558 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.11 -30.66 0.11 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.654 -0.784 . . . . 1.58 112.775 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 178.7 -151.3 10.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.621 -0.799 . . . . 0.67 112.014 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.4 160.15 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.139 -0.689 . . . . 0.41 109.139 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.548 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 53.5 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.787 0.327 . . . . 0.23 111.602 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' SG ' ' A' ' 18' ' ' CYS . 11.9 pt-20 . . . . . 0 N--CA 1.446 -0.648 0 CA-C-O 121.277 0.56 . . . . 1.52 109.686 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 17' ' ' GLU . 88.0 m -129.57 -68.9 0.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.001 -0.999 . . . . 0.35 111.623 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 120.602 -0.439 . . . . 1.03 110.975 178.29 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.24 0.543 . . . . 0.66 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 52.1 Cg_exo -55.82 106.02 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.99 3.126 . . . . 0.73 112.155 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.71 28.91 6.26 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.839 -0.696 . . . . 2.28 113.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.57 27.69 2.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.392 -0.908 . . . . 1.63 113.052 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.13 73.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.443 -0.884 . . . . 1.58 112.467 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.33 152.7 9.59 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.246 -0.742 . . . . 0.67 111.246 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' H ' ' A' ' 12' ' ' CYS . 3.0 t -108.35 165.83 4.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.536 -0.912 . . . . 0.41 108.536 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 50.4 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 121.052 0.454 . . . . 0.23 111.664 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.961 0.41 . . . . 1.52 110.253 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.8 m -135.28 -62.18 0.72 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.983 -0.553 . . . . 0.35 110.821 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.327 -0.413 0 N-CA-C 110.209 -0.293 . . . . 1.03 110.209 179.265 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 75.2 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.129 0.49 . . . . 0.66 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 1.059 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.5 Cg_endo -62.65 87.39 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.664 2.909 . . . . 0.73 112.923 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.12 -91.36 0.26 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 2.28 111.324 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.74 15.8 3.56 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.746 -0.74 . . . . 1.63 111.756 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.41 35.05 2.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.745 -0.74 . . . . 1.58 112.654 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.02 170.85 12.84 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.687 -0.768 . . . . 0.67 111.795 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.059 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.0 t -112.78 160.27 12.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.522 -0.548 . . . . 0.41 109.522 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.59 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.8 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.23 111.471 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.243 0.545 . . . . 1.52 109.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.7 m -130.13 -69.13 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.35 111.905 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 1.03 110.55 -178.361 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.2 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 121.014 0.435 . . . . 0.66 111.34 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.998 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -62.21 91.68 0.12 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.429 2.753 . . . . 0.73 112.193 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.6 -91.98 1.67 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.666 -0.778 . . . . 2.28 112.574 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.82 88.31 0.33 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.629 -0.796 . . . . 1.63 112.649 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.48 30.92 2.72 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 1.58 112.34 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.77 154.84 13.36 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.7 -0.762 . . . . 0.67 112.206 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.998 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.5 t -123.94 153.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.269 -0.641 . . . . 0.41 109.269 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 42.3 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 112.243 0.46 . . . . 0.23 112.243 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 120.907 0.384 . . . . 1.52 110.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -125.76 -69.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.35 111.629 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.69 -0.404 . . . . 1.03 111.559 -177.086 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.66 111.637 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.666 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.6 Cg_exo -51.23 102.67 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.814 3.01 . . . . 0.73 112.36 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 108.81 0.23 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.608 -0.724 . . . . 2.28 111.749 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.39 -8.87 10.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.485 -0.864 . . . . 1.63 112.508 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.65 44.53 0.42 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.673 -0.775 . . . . 1.58 111.798 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -175.69 150.01 10.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.334 -0.936 . . . . 0.67 112.705 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 12' ' ' CYS . 2.6 t -109.94 166.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.142 -1.059 . . . . 0.41 108.142 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' H ' HG12 ' A' ' 11' ' ' VAL . 33.8 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.144 0.497 . . . . 0.23 111.924 -174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.976 0.417 . . . . 1.52 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -118.75 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.087 -0.506 . . . . 0.35 110.578 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.925 -0.398 . . . . 1.03 109.925 176.343 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 90.2 mt . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.66 111.412 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 1.049 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.9 Cg_endo -61.47 91.32 0.1 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.8 3.0 . . . . 0.73 112.333 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.77 86.75 0.27 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.75 -0.738 . . . . 2.28 112.569 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.32 38.2 95.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.061 -0.59 . . . . 1.63 113.074 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.93 24.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.313 -0.946 . . . . 1.58 113.255 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 -162.81 16.82 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.683 -0.77 . . . . 0.67 111.452 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.049 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.4 t -125.1 171.65 13.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.417 -0.586 . . . . 0.41 109.417 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.568 ' H ' HG12 ' A' ' 11' ' ' VAL . 52.6 t . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.23 111.757 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 3.0 pm0 . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 121.181 0.515 . . . . 1.52 109.938 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 98.2 m -126.44 -72.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.495 -0.775 . . . . 0.35 111.248 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 120.624 0.25 . . . . 1.03 111.075 -177.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.43 0.633 . . . . 0.66 111.575 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 24.3 Cg_exo -62.6 164.02 19.55 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.694 2.929 . . . . 0.73 112.145 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.51 89.66 0.9 Allowed Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.925 -0.655 . . . . 2.28 111.547 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.93 14.04 5.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.747 -0.74 . . . . 1.63 112.406 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.0 88.44 1.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.683 -0.77 . . . . 1.58 112.684 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.69 151.81 8.73 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.809 -0.71 . . . . 0.67 111.572 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.783 HG12 ' H ' ' A' ' 12' ' ' CYS . 2.4 t -114.7 -175.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.159 -0.682 . . . . 0.41 109.159 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.783 ' H ' HG12 ' A' ' 11' ' ' VAL . 50.5 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-O 120.727 0.299 . . . . 0.23 111.027 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-O 120.865 0.364 . . . . 1.52 110.69 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.1 m -122.89 -66.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.34 -0.391 . . . . 0.35 110.878 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.362 0 N-CA-C 110.047 -0.353 . . . . 1.03 110.047 176.297 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 59.5 mt . . . . . 0 CA--C 1.523 -0.085 0 N-CA-C 112.613 0.598 . . . . 0.66 112.613 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 1.055 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 44.6 Cg_endo -70.9 90.49 0.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.351 2.701 . . . . 0.73 111.812 174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.51 33.75 3.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.48 -0.866 . . . . 2.28 113.304 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.48 57.99 0.22 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.634 -0.793 . . . . 1.63 112.408 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.91 -88.08 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.588 -0.605 . . . . 1.58 111.588 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.94 -156.59 11.88 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.877 -0.889 . . . . 0.67 110.877 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.055 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.9 t -125.45 175.84 7.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.693 -0.484 . . . . 0.41 109.693 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.665 ' H ' HG12 ' A' ' 11' ' ' VAL . 42.7 t . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 120.496 0.189 . . . . 0.23 111.345 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 18.3 pm0 . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 121.236 0.541 . . . . 1.52 109.852 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 96.6 m -121.56 -62.67 1.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.35 110.781 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.821 -0.172 . . . . 1.03 110.949 177.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 111.788 0.292 . . . . 0.66 111.788 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 36.8 Cg_exo -54.05 97.26 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 123.571 2.847 . . . . 0.73 112.038 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 104.99 0.2 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.932 -0.651 . . . . 2.28 111.808 -176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.13 -1.87 7.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.707 -0.758 . . . . 1.63 112.385 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.03 0.86 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.541 -0.837 . . . . 1.58 111.845 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -174.99 166.4 38.04 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.545 -0.836 . . . . 0.67 112.16 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 12' ' ' CYS . 3.4 t -116.96 178.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.544 -0.91 . . . . 0.41 108.544 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.7 ' H ' HG12 ' A' ' 11' ' ' VAL . 48.7 t . . . . . 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.23 111.701 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 18.8 pm0 . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.159 0.504 . . . . 1.52 109.956 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 82.3 m -122.36 -65.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.692 -0.685 . . . . 0.35 111.174 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--N 1.327 -0.411 0 C-N-CA 120.994 -0.282 . . . . 1.03 110.394 179.48 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 121.35 0.595 . . . . 0.66 111.235 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 77.2 Cg_exo -52.43 104.98 0.1 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 124.225 3.284 . . . . 0.73 112.598 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.83 90.98 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.079 -0.964 . . . . 2.28 111.43 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.39 23.32 3.2 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.945 -0.645 . . . . 1.63 111.976 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.01 99.2 2.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.558 -0.83 . . . . 1.58 112.45 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.5 149.26 7.44 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.449 -0.66 . . . . 0.67 111.449 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 12' ' ' CYS . 1.6 t -114.64 175.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.181 -0.674 . . . . 0.41 109.181 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.57 ' H ' HG12 ' A' ' 11' ' ' VAL . 47.0 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.23 111.38 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.186 -0.672 . . . . 1.52 109.186 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.0 m -122.09 -75.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.953 -1.021 . . . . 0.35 111.095 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.709 0.29 . . . . 1.03 110.753 178.694 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.7 mt . . . . . 0 CA--C 1.514 -0.427 0 CA-C-O 121.094 0.473 . . . . 0.66 110.771 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.984 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 5.4 Cg_endo -53.02 125.01 16.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.676 2.917 . . . . 0.73 112.667 -177.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.73 -160.68 12.07 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.454 -0.793 . . . . 2.28 111.195 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.8 85.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.217 -0.516 . . . . 1.63 113.03 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.57 23.18 5.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.79 -0.719 . . . . 1.58 113.062 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.98 149.99 19.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.517 -0.849 . . . . 0.67 111.988 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.984 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.7 t -127.48 153.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.873 -0.417 . . . . 0.41 109.873 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.7 t . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.23 111.804 -177.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.219 0.533 . . . . 1.52 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.1 m -134.01 -63.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.434 -0.803 . . . . 0.35 111.809 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.619 -0.432 . . . . 1.03 110.915 -179.493 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 44.0 mt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.475 0.655 . . . . 0.66 111.567 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 1.068 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 36.6 Cg_endo -66.46 85.27 0.28 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.384 2.723 . . . . 0.73 112.378 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.86 -28.01 4.92 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.573 -0.822 . . . . 2.28 112.149 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.27 90.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.811 -0.709 . . . . 1.63 112.4 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 41.61 0.41 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.5 -0.857 . . . . 1.58 112.359 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 159.39 9.89 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.405 -0.903 . . . . 0.67 111.777 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.068 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 18.5 t -114.28 158.75 14.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.824 -0.806 . . . . 0.41 108.824 178.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 41.9 t . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.01 0.433 . . . . 0.23 111.701 -176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.917 0.389 . . . . 1.52 110.586 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -134.54 -72.4 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.044 -0.526 . . . . 0.35 111.774 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-O 120.804 0.335 . . . . 1.03 110.325 179.283 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.618 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.1 t . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 110.753 -0.091 . . . . 1.15 110.753 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.618 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.657 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 25.4 t80 -67.6 93.25 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.372 -0.377 . . . . 0.57 110.653 177.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -118.38 96.33 49.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.271 -0.422 . . . . 0.66 111.298 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.99 98.2 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 123.988 3.125 . . . . 0.73 112.94 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.61 -96.61 1.52 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.694 -0.765 . . . . 2.28 112.271 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.0 85.04 0.31 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.587 -0.816 . . . . 1.63 112.699 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.56 26.21 4.02 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.909 -0.662 . . . . 1.58 112.425 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.15 152.09 16.27 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.554 -0.831 . . . . 0.67 112.552 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.61 ' HB ' HD12 ' A' ' 14' ' ' LEU . 10.6 t -120.35 168.39 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 108.22 -1.03 . . . . 0.41 108.22 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' H ' HG12 ' A' ' 11' ' ' VAL . 36.7 t -58.5 99.22 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.129 0.49 . . . . 0.23 111.823 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 11' ' ' VAL . 38.7 mt -126.36 92.99 3.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.739 -0.664 . . . . 0.18 111.034 -174.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.657 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 3.2 pm0 -87.44 -14.92 39.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.06 0.457 . . . . 1.52 110.251 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.4 m -121.64 -70.8 0.76 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.35 110.883 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.32 -89.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.113 -0.328 . . . . 1.03 110.113 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.676 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 43.1 t . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.241 0.067 . . . . 1.15 111.171 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.676 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' HE1' ' SG ' ' A' ' 18' ' ' CYS . 24.2 t80 -60.96 101.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.216 0.322 . . . . 0.57 110.787 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.503 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.3 mt -124.49 83.95 57.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.434 0.635 . . . . 0.66 111.662 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 23.7 Cg_exo -67.28 92.69 0.34 Allowed 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.899 3.066 . . . . 0.73 113.174 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.23 -32.42 3.48 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.849 -0.691 . . . . 2.28 111.551 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.34 81.55 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.558 -0.617 . . . . 1.63 111.558 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.11 -30.66 0.11 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.654 -0.784 . . . . 1.58 112.775 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.64 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . 178.7 -151.3 10.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.621 -0.799 . . . . 0.67 112.014 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.61 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 3.2 t -126.4 160.15 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.139 -0.689 . . . . 0.41 109.139 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.548 ' N ' ' HG3' ' A' ' 6' ' ' PRO . 53.5 t -59.55 105.81 0.4 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.787 0.327 . . . . 0.23 111.602 -175.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 27.4 mt -116.55 99.82 7.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.8 -0.637 . . . . 0.18 110.3 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' SG ' ' A' ' 18' ' ' CYS . 11.9 pt-20 -89.1 -20.34 24.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.277 0.56 . . . . 1.52 109.686 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 88.0 m -129.57 -68.9 0.71 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.001 -0.999 . . . . 0.35 111.623 -174.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.1 mt -114.99 -79.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.602 -0.439 . . . . 1.03 110.975 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.674 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 42.8 t . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.552 0.215 . . . . 1.15 111.503 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.674 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.411 ' H ' ' HB3' ' A' ' 2' ' ' DBB . 18.1 t80 -59.01 106.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.57 110.989 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.521 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.0 mt -125.67 87.8 55.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 121.24 0.543 . . . . 0.66 111.283 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 52.1 Cg_exo -55.82 106.02 0.18 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.99 3.126 . . . . 0.73 112.155 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.71 28.91 6.26 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.839 -0.696 . . . . 2.28 113.142 -174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.57 27.69 2.98 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.392 -0.908 . . . . 1.63 113.052 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.13 73.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.443 -0.884 . . . . 1.58 112.467 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.33 152.7 9.59 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.246 -0.742 . . . . 0.67 111.246 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 3.0 t -108.35 165.83 4.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 108.536 -0.912 . . . . 0.41 108.536 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 4' ' ' DBB . 50.4 t -58.42 100.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.052 0.454 . . . . 0.23 111.664 -174.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . 0.906 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 31.4 mt -112.77 98.82 7.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.74 -0.664 . . . . 0.18 110.422 -175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.906 ' HG3' ' HB2' ' A' ' 13' ' ' DBB . 12.2 pt-20 -108.06 -15.1 14.59 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 120.961 0.41 . . . . 1.52 110.253 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.8 m -135.28 -62.18 0.72 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.983 -0.553 . . . . 0.35 110.821 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.72 -78.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 110.209 -0.293 . . . . 1.03 110.209 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.684 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 38.1 t . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 111.152 0.056 . . . . 1.15 111.152 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.684 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' H ' ' HB3' ' A' ' 2' ' ' DBB . 25.3 t80 -61.32 102.45 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.334 -0.394 . . . . 0.57 111.025 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 75.2 mt -126.38 91.83 46.79 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 121.129 0.49 . . . . 0.66 110.915 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.059 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.5 Cg_endo -62.65 87.39 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.664 2.909 . . . . 0.73 112.923 -177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.12 -91.36 0.26 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 2.28 111.324 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.74 15.8 3.56 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.746 -0.74 . . . . 1.63 111.756 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.41 35.05 2.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.745 -0.74 . . . . 1.58 112.654 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.02 170.85 12.84 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.687 -0.768 . . . . 0.67 111.795 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.059 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.0 t -112.78 160.27 12.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.522 -0.548 . . . . 0.41 109.522 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.59 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.8 t -58.11 112.39 1.51 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.23 111.471 -177.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 22.0 mt -114.46 99.19 7.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.138 -0.937 . . . . 0.18 111.145 -171.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -98.55 -19.74 17.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.932 -0.576 . . . . 1.52 109.849 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 68.7 m -130.13 -69.13 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.693 -0.685 . . . . 0.35 111.905 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mt -106.99 -76.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.728 0.299 . . . . 1.03 110.55 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.679 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 110.014 -0.365 . . . . 1.15 110.014 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.679 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.704 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 29.5 t80 -59.43 102.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.57 111.204 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.42 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.2 mt -128.22 93.8 37.83 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.014 0.435 . . . . 0.66 111.34 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.998 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 18.3 Cg_endo -62.21 91.68 0.12 Allowed 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.429 2.753 . . . . 0.73 112.193 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.6 -91.98 1.67 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.666 -0.778 . . . . 2.28 112.574 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.82 88.31 0.33 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.629 -0.796 . . . . 1.63 112.649 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.48 30.92 2.72 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.591 -0.814 . . . . 1.58 112.34 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 178.77 154.84 13.36 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.7 -0.762 . . . . 0.67 112.206 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.998 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.5 t -123.94 153.33 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.269 -0.641 . . . . 0.41 109.269 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 42.3 t -52.46 108.05 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.243 0.46 . . . . 0.23 112.243 -175.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . 0.642 ' HB2' ' HG3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD12 ' HB ' ' A' ' 11' ' ' VAL . 37.2 mt -109.43 97.46 7.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.826 -0.624 . . . . 0.18 110.458 -173.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.704 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 7.2 pt-20 -89.45 -24.21 21.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.061 -0.518 . . . . 1.52 110.171 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.9 m -125.76 -69.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.35 111.629 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mt -113.0 -75.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.69 -0.404 . . . . 1.03 111.559 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . 0.464 ' HB2' ' HB1' ' A' ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.588 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 119.113 -0.47 . . . . 1.15 109.744 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.588 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.421 ' HE1' ' HG1' ' A' ' 13' ' ' DBB . 17.6 t80 -81.74 92.18 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.914 -0.402 . . . . 0.57 109.914 173.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.493 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.5 99.37 51.5 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.079 -0.509 . . . . 0.66 111.637 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.666 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.6 Cg_exo -51.23 102.67 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.814 3.01 . . . . 0.73 112.36 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 108.81 0.23 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.608 -0.724 . . . . 2.28 111.749 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.39 -8.87 10.21 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.485 -0.864 . . . . 1.63 112.508 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.65 44.53 0.42 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.673 -0.775 . . . . 1.58 111.798 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 6' ' ' PRO . . . -175.69 150.01 10.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.334 -0.936 . . . . 0.67 112.705 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.572 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 2.6 t -109.94 166.89 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 108.142 -1.059 . . . . 0.41 108.142 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 4' ' ' DBB . 33.8 t -59.46 99.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.144 0.497 . . . . 0.23 111.924 -174.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . 0.421 ' HG1' ' HE1' ' A' ' 3' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 32.9 mt -125.34 94.41 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.18 110.286 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 1.3 pm0 -87.0 -12.5 47.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.976 0.417 . . . . 1.52 110.512 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -118.75 -73.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.087 -0.506 . . . . 0.35 110.578 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -114.51 -82.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.925 -0.398 . . . . 1.03 109.925 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.632 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.3 t . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.285 0.106 . . . . 1.15 111.285 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.632 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -69.57 87.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.57 110.724 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 90.2 mt -118.17 92.2 42.1 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.341 0.591 . . . . 0.66 111.412 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.049 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 17.9 Cg_endo -61.47 91.32 0.1 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.8 3.0 . . . . 0.73 112.333 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.77 86.75 0.27 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.75 -0.738 . . . . 2.28 112.569 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.32 38.2 95.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.061 -0.59 . . . . 1.63 113.074 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.93 24.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.313 -0.946 . . . . 1.58 113.255 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.13 -162.81 16.82 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.683 -0.77 . . . . 0.67 111.452 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.049 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 4.4 t -125.1 171.65 13.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.417 -0.586 . . . . 0.41 109.417 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.568 ' H ' HG12 ' A' ' 11' ' ' VAL . 52.6 t -60.82 95.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.23 111.757 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD12 ' HB ' ' A' ' 11' ' ' VAL . 45.0 mt -122.84 90.99 3.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.866 -0.607 . . . . 0.18 109.659 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' HG2' ' SG ' ' A' ' 18' ' ' CYS . 3.0 pm0 -87.47 -13.39 43.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.181 0.515 . . . . 1.52 109.938 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 98.2 m -126.44 -72.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.495 -0.775 . . . . 0.35 111.248 -178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.9 mm -110.16 -80.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.624 0.25 . . . . 1.03 111.075 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.613 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 42.4 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 110.792 -0.077 . . . . 1.15 110.792 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.613 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -70.91 87.77 0.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.908 0.385 . . . . 0.57 110.698 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.43 ' O ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -118.11 86.41 26.28 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.43 0.633 . . . . 0.66 111.575 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 24.3 Cg_exo -62.6 164.02 19.55 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.694 2.929 . . . . 0.73 112.145 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.51 89.66 0.9 Allowed Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.925 -0.655 . . . . 2.28 111.547 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.93 14.04 5.78 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.747 -0.74 . . . . 1.63 112.406 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.0 88.44 1.27 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.683 -0.77 . . . . 1.58 112.684 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' HA3' ' N ' ' A' ' 1' ' ' CYS . . . 120.69 151.81 8.73 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.809 -0.71 . . . . 0.67 111.572 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.783 HG12 ' H ' ' A' ' 12' ' ' CYS . 2.4 t -114.7 -175.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.159 -0.682 . . . . 0.41 109.159 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.783 ' H ' HG12 ' A' ' 11' ' ' VAL . 50.5 t -69.37 94.1 0.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.727 0.299 . . . . 0.23 111.027 -176.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HB ' ' A' ' 11' ' ' VAL . 67.8 mt -124.77 97.85 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.656 -0.702 . . . . 0.18 110.465 -178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -86.55 -11.7 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.281 -0.418 . . . . 1.52 110.69 -175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.1 m -122.89 -66.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.34 -0.391 . . . . 0.35 110.878 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.16 -86.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.047 -0.353 . . . . 1.03 110.047 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.708 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 119.602 -0.237 . . . . 1.15 110.467 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.708 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.442 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 20.3 t80 -65.52 87.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.419 0.628 . . . . 0.57 110.819 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 59.5 mt -124.04 89.9 51.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 112.613 0.598 . . . . 0.66 112.613 -176.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.055 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 44.6 Cg_endo -70.9 90.49 0.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.351 2.701 . . . . 0.73 111.812 174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.51 33.75 3.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.48 -0.866 . . . . 2.28 113.304 -175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.48 57.99 0.22 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.634 -0.793 . . . . 1.63 112.408 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.91 -88.08 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.588 -0.605 . . . . 1.58 111.588 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.94 -156.59 11.88 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.877 -0.889 . . . . 0.67 110.877 174.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.055 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 2.9 t -125.45 175.84 7.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.693 -0.484 . . . . 0.41 109.693 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.665 ' H ' HG12 ' A' ' 11' ' ' VAL . 42.7 t -63.59 103.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.496 0.189 . . . . 0.23 111.345 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD12 ' HB ' ' A' ' 11' ' ' VAL . 45.1 mt -122.29 100.5 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.598 -0.728 . . . . 0.18 110.369 -176.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 18.3 pm0 -86.64 -15.35 39.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.236 0.541 . . . . 1.52 109.852 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 96.6 m -121.56 -62.67 1.39 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.35 110.781 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.6 mt -121.06 -82.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.821 -0.172 . . . . 1.03 110.949 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.644 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 37.9 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 111.084 0.031 . . . . 1.15 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.644 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.535 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 18.4 t80 -73.16 84.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.162 0.506 . . . . 0.57 111.31 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.6 mt -113.9 101.5 53.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.226 -0.443 . . . . 0.66 111.788 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 36.8 Cg_exo -54.05 97.26 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 123.571 2.847 . . . . 0.73 112.038 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 104.99 0.2 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.932 -0.651 . . . . 2.28 111.808 -176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.13 -1.87 7.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.707 -0.758 . . . . 1.63 112.385 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.03 0.86 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.541 -0.837 . . . . 1.58 111.845 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.45 ' HA3' ' H3 ' ' A' ' 1' ' ' CYS . . . -174.99 166.4 38.04 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.545 -0.836 . . . . 0.67 112.16 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.769 ' HB ' HD12 ' A' ' 14' ' ' LEU . 3.4 t -116.96 178.29 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.544 -0.91 . . . . 0.41 108.544 178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.7 ' H ' HG12 ' A' ' 11' ' ' VAL . 48.7 t -64.2 105.1 0.83 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.23 111.701 -177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.769 HD12 ' HB ' ' A' ' 11' ' ' VAL . 39.6 mt -118.68 98.69 6.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.344 -0.844 . . . . 0.18 110.309 -175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG3' ' HA ' ' A' ' 3' ' ' PHE . 18.8 pm0 -87.57 -16.54 34.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.159 0.504 . . . . 1.52 109.956 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' SG ' ' HG2' ' A' ' 17' ' ' GLU . 82.3 m -122.36 -65.86 1.08 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.692 -0.685 . . . . 0.35 111.174 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.7 mm -116.18 -85.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.994 -0.282 . . . . 1.03 110.394 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 43.9 t . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.808 -0.071 . . . . 1.15 110.808 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.579 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.433 ' H ' ' HB3' ' A' ' 2' ' ' DBB . 23.1 t80 -70.58 89.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.38 . . . . 0.57 110.701 177.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.482 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -123.14 86.8 51.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 121.35 0.595 . . . . 0.66 111.235 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.491 ' HG3' ' N ' ' A' ' 12' ' ' CYS . 77.2 Cg_exo -52.43 104.98 0.1 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 124.225 3.284 . . . . 0.73 112.598 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.83 90.98 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.079 -0.964 . . . . 2.28 111.43 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.39 23.32 3.2 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.945 -0.645 . . . . 1.63 111.976 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.01 99.2 2.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.558 -0.83 . . . . 1.58 112.45 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.5 149.26 7.44 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.449 -0.66 . . . . 0.67 111.449 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.632 ' HB ' ' HB2' ' A' ' 14' ' ' LEU . 1.6 t -114.64 175.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.181 -0.674 . . . . 0.41 109.181 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.57 ' H ' HG12 ' A' ' 11' ' ' VAL . 47.0 t -68.34 91.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.23 111.38 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 42.5 mt -129.76 94.94 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.54 . . . . 0.18 110.031 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.42 -24.76 24.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.186 -0.672 . . . . 1.52 109.186 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.0 m -122.09 -75.29 0.6 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.953 -1.021 . . . . 0.35 111.095 -172.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.75 -75.3 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.709 0.29 . . . . 1.03 110.753 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.712 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.9 t . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 111.298 0.11 . . . . 1.15 111.298 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.712 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 30.3 t80 -63.03 101.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.831 0.348 . . . . 0.57 110.87 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.43 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 5' ' ' LEU . 50.7 mt -120.32 90.43 45.08 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 121.094 0.473 . . . . 0.66 110.771 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.984 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 5.4 Cg_endo -53.02 125.01 16.96 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.676 2.917 . . . . 0.73 112.667 -177.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.73 -160.68 12.07 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.454 -0.793 . . . . 2.28 111.195 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.8 85.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.217 -0.516 . . . . 1.63 113.03 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.57 23.18 5.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.79 -0.719 . . . . 1.58 113.062 177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.98 149.99 19.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.517 -0.849 . . . . 0.67 111.988 178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.984 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 12.7 t -127.48 153.44 36.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.873 -0.417 . . . . 0.41 109.873 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 52.7 t -56.91 115.01 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.818 0.342 . . . . 0.23 111.804 -177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.573 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 24.5 mt -116.67 100.53 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.258 -0.883 . . . . 0.18 110.464 -171.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 6.3 pt-20 -89.38 -19.17 25.54 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.848 -0.614 . . . . 1.52 110.046 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.545 ' SG ' ' HE1' ' A' ' 3' ' ' PHE . 94.1 m -134.01 -63.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.434 -0.803 . . . . 0.35 111.809 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.5 mt -115.04 -83.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.619 -0.432 . . . . 1.03 110.915 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.718 ' HA ' ' C ' ' A' ' 2' ' ' DBB . 36.5 t . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 120.307 0.098 . . . . 1.15 111.08 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' DBB . . . . . 0.718 ' C ' ' HA ' ' A' ' 1' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.637 ' HD1' ' HB2' ' A' ' 17' ' ' GLU . 25.8 t80 -62.2 99.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.57 111.08 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DBB . . . . . 0.469 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 44.0 mt -127.19 88.63 53.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.475 0.655 . . . . 0.66 111.567 -179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 1.068 ' HB3' ' HA ' ' A' ' 11' ' ' VAL . 36.6 Cg_endo -66.46 85.27 0.28 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.384 2.723 . . . . 0.73 112.378 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.86 -28.01 4.92 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.573 -0.822 . . . . 2.28 112.149 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.27 90.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.811 -0.709 . . . . 1.63 112.4 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.65 41.61 0.41 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.5 -0.857 . . . . 1.58 112.359 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 159.39 9.89 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.405 -0.903 . . . . 0.67 111.777 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.068 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 18.5 t -114.28 158.75 14.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.824 -0.806 . . . . 0.41 108.824 178.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 4' ' ' DBB . 41.9 t -54.7 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.01 0.433 . . . . 0.23 111.701 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.586 ' HB2' ' HB ' ' A' ' 11' ' ' VAL . 22.3 mt -117.31 96.34 5.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.743 -0.662 . . . . 0.18 110.313 -173.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' HB2' ' HD1' ' A' ' 3' ' ' PHE . 5.9 pt-20 -87.77 -16.87 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.901 -0.59 . . . . 1.52 110.586 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -134.54 -72.4 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.044 -0.526 . . . . 0.35 111.774 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.17 -71.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.804 0.335 . . . . 1.03 110.325 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TEE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_