data_2l1q_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 2l1q _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 ' 11' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 13.1 Cg_exo -68.76 172.75 11.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.782 2.321 . . . . 0.0 111.679 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.3 mm -54.03 -58.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.461 . . . . 0.0 111.601 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.13 45.84 1.47 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 172.06 13.54 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.398 0.618 . . . . 0.0 111.59 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -86.16 157.43 20.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.26 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.6 t -124.87 163.49 22.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.45 0.643 . . . . 0.0 111.954 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 48.6 mtt180 -132.53 -31.81 1.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.193 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 6.8 t70 -158.84 153.78 25.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 8.8 m-20 -52.21 -38.82 59.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 119.301 0.955 . . . . 0.0 111.102 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -61.23 -24.06 66.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.629 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.71 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 15.6 mm-40 -69.09 -33.16 73.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.2 m -85.69 142.89 28.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.35 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 tt -55.7 -37.97 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.008 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.42 4.48 48.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 55.87 46.29 22.43 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.097 0.475 . . . . 0.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.79 101.81 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -90.57 85.96 6.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.798 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -79.72 93.71 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.157 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mttt 53.68 49.78 18.55 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.576 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 17' ' ' CYS . 6.2 ttm180 70.56 17.03 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.933 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -130.69 157.96 41.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.316 -0.882 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.789 179.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.83 175.55 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.751 2.301 . . . . 0.0 112.152 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -55.26 -49.18 74.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.893 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.02 50.81 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.418 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.2 163.78 31.95 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 111.706 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.43 157.74 28.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.769 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.4 t -130.72 159.03 38.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 112.522 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 18' ' ' ARG . 3.2 ttp-105 -143.66 -2.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.335 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -177.89 143.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.0 m-20 -56.02 -35.77 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.227 0.467 . . . . 0.0 110.641 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -59.7 -26.52 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.477 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 72.0 mm-40 -71.1 -34.65 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -80.62 139.91 36.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.124 0.488 . . . . 0.0 110.743 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 tt -52.45 -40.25 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.546 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.74 10.44 40.05 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 53.2 ttm-85 52.44 59.58 4.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.474 0.654 . . . . 0.0 110.315 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tp -147.73 87.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.032 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.28 95.04 9.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.522 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -107.59 117.91 35.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.914 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 55.83 42.3 29.16 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.437 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 64.96 18.35 11.46 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.053 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -131.64 161.74 32.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 121.426 0.631 . . . . 0.0 110.686 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.985 0.422 . . . . 0.0 112.021 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.56 -174.06 2.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.619 2.212 . . . . 0.0 110.841 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -60.57 -58.22 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.381 . . . . 0.0 111.921 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.64 46.25 1.66 Allowed Glycine 0 C--N 1.318 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.342 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.38 178.13 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.19 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 18.9 m -89.51 167.81 12.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.664 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.466 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 46.5 t -138.82 163.94 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.73 0.776 . . . . 0.0 112.672 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 60.3 mtt180 -130.52 -35.1 1.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.194 -1.367 . . . . 0.0 108.608 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.57 154.87 32.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 46.3 m-20 -50.05 -42.44 49.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.35 0.523 . . . . 0.0 111.613 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -62.85 -19.75 64.43 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.499 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.8 mm-40 -74.19 -25.63 59.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.784 0.326 . . . . 0.0 110.217 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 73.6 m -97.49 139.5 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.951 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 tt -50.77 -38.39 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.763 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -2.3 51.2 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.68 41.54 28.2 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.269 0.556 . . . . 0.0 110.325 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -141.28 102.66 4.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.74 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -90.52 85.22 6.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 110.876 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -83.66 106.9 15.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.921 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 mttp 54.95 43.07 30.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.785 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 66.65 22.78 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.105 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -135.8 163.7 29.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.316 -0.856 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.034 179.462 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 22.2 Cg_exo -66.26 167.27 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.797 2.331 . . . . 0.0 111.906 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -54.62 -49.23 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.6 47.51 3.49 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.15 171.67 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.257 0.551 . . . . 0.0 111.895 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -84.26 161.87 20.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.751 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 42.2 t -133.76 163.39 29.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.871 0.843 . . . . 0.0 112.053 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -129.01 -36.2 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.551 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.9 t70 -152.65 152.17 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.658 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 m-20 -52.11 -40.32 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.426 0.557 . . . . 0.0 111.384 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -61.54 -20.91 63.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.811 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.5 mm-40 -72.09 -32.31 66.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.194 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 95.0 m -88.06 146.53 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.8 tt -54.47 -38.79 42.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.466 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -1.98 58.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 14.0 ttp180 57.13 50.86 11.16 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.344 0.593 . . . . 0.0 110.552 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -147.21 97.93 2.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.625 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.2 t -89.47 75.61 7.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.017 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 29' ' ' ARG . 35.2 ttp85 -87.77 128.08 35.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.27 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 57.4 28.58 15.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.357 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 61.3 30.71 19.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.888 0.851 . . . . 0.0 109.894 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 mtt-85 -140.45 174.16 10.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.298 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 71.7 m . . . . . 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.48 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -71.5 174.95 10.15 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.431 2.087 . . . . 0.0 111.48 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.37 -40.05 82.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.02 47.89 3.93 Favored Glycine 0 C--N 1.318 -0.471 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.253 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.68 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.385 0.612 . . . . 0.0 112.345 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -89.9 171.61 9.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.877 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 31' ' ' ARG . 45.2 t -138.15 162.19 34.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.72 0.772 . . . . 0.0 112.425 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -137.18 -25.53 1.05 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.664 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -157.71 149.73 22.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 m-20 -52.56 -42.06 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.269 0.94 . . . . 0.0 110.566 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.56 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -62.26 -16.56 54.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.259 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.7 -35.02 74.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -87.13 147.45 25.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.287 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 tt -55.13 -37.46 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -2.87 44.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.514 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.18 44.53 24.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 109.97 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.5 tp -147.31 112.69 5.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.13 102.01 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.394 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 tpt85 -91.25 95.17 9.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.4 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt 54.85 44.88 27.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 25.8 ttt180 69.61 20.3 7.07 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.461 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -138.04 166.51 23.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.318 -0.786 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.151 179.077 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.617 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 27.4 Cg_exo -62.12 158.48 39.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.102 2.535 . . . . 0.0 112.846 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tp -53.0 -52.35 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.44 31.7 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.418 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.99 178.77 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.15 0.475 . . . . 0.0 111.804 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -82.79 166.38 19.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.956 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 34.5 t -143.23 163.54 32.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.647 0.737 . . . . 0.0 112.636 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 54.1 mtm180 -133.33 -28.47 1.48 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.391 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -154.75 141.86 19.36 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.2 m-20 -53.97 -36.32 62.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.477 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 m -61.66 -26.41 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.27 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 11.6 mt-10 -76.22 -20.56 57.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 90.2 m -94.56 140.94 29.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.419 0.628 . . . . 0.0 111.996 -178.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 HD13 HG23 ' A' ' 24' ' ' ILE . 9.2 tt -58.93 -36.56 62.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.194 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -13.34 59.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER 59.11 33.55 22.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.152 -178.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 29' ' ' ARG . 2.1 tt -138.62 101.16 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.52 76.96 6.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.616 0.722 . . . . 0.0 110.143 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 11.0 tpt180 -89.48 123.32 33.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.667 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 17.2 ptmt 48.45 42.85 19.19 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.138 0.975 . . . . 0.0 111.986 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 67.32 29.47 7.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.555 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -136.1 168.0 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 121.255 0.55 . . . . 0.0 111.898 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.816 ' HD2' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.968 0.413 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.33 173.49 14.23 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.683 2.255 . . . . 0.0 111.141 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 tt -56.6 -49.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.59 50.61 4.39 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.39 179.35 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.746 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.8 m -88.83 167.88 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.79 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.472 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 9.7 t -161.68 161.3 29.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 112.33 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -132.13 -26.29 1.93 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.122 177.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.6 t70 -141.96 138.84 32.23 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 5.3 m-20 -53.82 -33.65 56.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -60.86 -18.74 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.456 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.816 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 28.5 mt-10 -78.66 -33.47 47.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.412 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.1 m -86.04 136.55 33.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.216 0.531 . . . . 0.0 111.605 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 HD12 ' A' ' 24' ' ' ILE . 7.9 tt -55.29 -35.3 36.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.961 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.31 -5.4 59.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.426 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 4.2 tpt180 57.89 36.67 26.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.024 0.44 . . . . 0.0 110.62 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.744 HD22 ' HD3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -132.66 92.79 3.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.266 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -91.26 125.0 35.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.683 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.744 ' HD3' HD22 ' A' ' 27' ' ' LEU . 7.1 mtp85 -144.62 123.63 12.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 56.28 43.5 26.35 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.135 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 22.6 tpt85 67.84 15.78 9.62 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 111.488 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 4.8 mtt85 -137.0 170.43 16.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 95.3 m . . . . . 0 C--N 1.32 -0.717 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.642 0.258 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.9 Cg_exo -66.6 172.18 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.889 2.393 . . . . 0.0 111.986 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 tt -56.95 -46.94 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.89 43.03 2.76 Favored Glycine 0 C--N 1.316 -0.528 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.965 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.29 173.16 11.55 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.154 0.502 . . . . 0.0 111.981 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.6 167.25 15.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.583 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.23 160.7 41.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.465 0.65 . . . . 0.0 112.218 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -134.7 -26.57 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.705 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -154.07 146.01 23.55 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.62 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 12.1 m-20 -53.16 -37.85 62.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.909 0.322 . . . . 0.0 111.746 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -60.27 -20.35 58.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.95 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.9 mt-10 -77.2 -32.65 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.793 0.33 . . . . 0.0 110.115 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.2 m -79.16 139.67 37.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 tt -53.27 -38.65 31.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.24 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.63 12.18 36.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 50.8 54.81 10.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.172 0.51 . . . . 0.0 111.878 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -144.82 94.36 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -90.04 90.68 8.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.345 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -100.25 117.99 35.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 30' ' ' LYS . 20.1 ptmt 49.64 47.43 22.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.346 1.058 . . . . 0.0 112.787 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 67.3 20.42 10.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.781 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.62 162.27 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.066 0.46 . . . . 0.0 109.951 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 m . . . . . 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 179.72 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 22' ' ' GLU . 24.5 mtp85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.33 162.64 33.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.878 2.385 . . . . 0.0 112.345 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.2 mm -50.93 -58.56 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.66 41.62 0.68 Allowed Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.615 -0.721 . . . . 0.0 113.767 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.26 177.15 7.98 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.29 0.566 . . . . 0.0 111.604 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 p -81.6 169.05 17.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.395 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 44.3 t -148.7 162.76 39.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.466 0.65 . . . . 0.0 111.8 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 89.5 mtm180 -132.95 -29.49 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.505 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -155.17 145.12 21.6 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.553 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 10.1 m-20 -52.83 -34.3 53.32 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -59.84 -27.37 66.59 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 9.8 mt-10 -74.18 -26.46 60.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.03 135.87 34.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.407 0.622 . . . . 0.0 111.441 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.21 -34.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.554 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.3 t -107.93 10.06 28.52 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 49.4 ttm-85 53.25 57.62 6.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.567 0.699 . . . . 0.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -143.57 84.19 1.79 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.64 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.46 70.35 10.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.048 0.927 . . . . 0.0 109.191 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' HB2' HD21 ' A' ' 27' ' ' LEU . 40.3 ttm-85 -83.74 117.14 23.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.685 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 54.7 44.26 28.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.338 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 66.2 21.25 11.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.829 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -135.96 170.93 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.176 0.512 . . . . 0.0 112.116 -178.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.758 0.313 . . . . 0.0 110.615 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.62 165.82 26.14 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.67 2.247 . . . . 0.0 111.617 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 tt -58.81 -49.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.84 0.353 . . . . 0.0 111.514 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.07 47.52 3.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 169.1 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.553 ' HA ' ' HG3' ' A' ' 32' ' ' ARG . 1.5 m -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.108 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -164.59 165.41 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.807 0.813 . . . . 0.0 112.358 -177.559 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.515 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 4.0 tpt85 -124.9 -29.6 3.35 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.47 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -137.72 139.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.719 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.6 m-20 -52.09 -37.78 55.08 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -54.34 -23.8 16.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.449 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -80.3 -35.11 36.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 77.3 m -77.28 140.15 39.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.544 0.687 . . . . 0.0 112.22 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 tt -56.67 -37.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.267 -1.333 . . . . 0.0 111.784 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.24 -2.81 58.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.934 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 53.77 48.15 22.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.979 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -151.34 95.5 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.709 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.87 134.15 35.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.055 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -148.66 134.88 19.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.6 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 57.36 34.17 24.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.495 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 67.24 26.21 8.69 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.242 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.553 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -145.1 172.46 13.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.316 -0.878 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.821 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.664 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.908 0.385 . . . . 0.0 111.229 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 6.1 Cg_exo -74.33 -175.75 2.38 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.968 2.445 . . . . 0.0 111.477 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -60.3 -48.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.73 49.32 3.88 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.673 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.11 168.36 20.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.189 0.519 . . . . 0.0 111.862 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -80.53 168.71 18.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.391 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.8 t -141.13 161.21 38.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.889 0.852 . . . . 0.0 112.79 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 2.9 tpm_? -129.5 -33.93 1.84 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.809 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.3 t70 -161.73 157.99 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.636 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 34.5 m-20 -53.74 -34.15 58.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.746 0.703 . . . . 0.0 111.194 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -58.0 -24.01 56.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.423 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 12.8 mm-40 -74.83 -32.56 61.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.6 m -88.98 136.37 33.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.407 0.622 . . . . 0.0 111.445 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.91 -37.0 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.505 -1.225 . . . . 0.0 113.002 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.98 7.19 47.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.636 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.4 OUTLIER 54.62 58.45 4.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.968 0.89 . . . . 0.0 109.221 -178.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tp -145.88 83.04 1.63 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.536 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.98 104.84 17.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.878 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -119.32 120.69 37.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 57.47 40.47 27.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.851 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 66.81 19.29 10.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.427 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -134.92 168.75 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m . . . . . 0 C--N 1.31 -1.12 0 CA-C-O 121.22 0.533 . . . . 0.0 110.678 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 24.3 Cg_exo -64.34 -171.74 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.166 2.577 . . . . 0.0 113.253 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mt -58.14 -72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.641 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 40.91 0.86 Allowed Glycine 0 C--N 1.318 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 113.489 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.94 171.56 7.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.134 0.492 . . . . 0.0 111.557 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -90.4 158.04 17.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.087 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -132.82 161.58 33.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.055 0.931 . . . . 0.0 112.993 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -139.0 -26.59 0.84 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.476 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -156.24 146.89 21.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 6.5 m-20 -53.88 -37.16 63.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 119.118 0.872 . . . . 0.0 110.648 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -63.04 -17.77 62.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.969 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.1 mm-40 -75.62 -27.76 58.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.881 0.372 . . . . 0.0 110.367 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 tt -55.24 -41.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.382 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.59 1.83 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.1 ttm-85 55.65 47.38 20.77 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.25 0.548 . . . . 0.0 110.819 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -138.23 96.03 3.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -86.22 80.49 8.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.813 0.816 . . . . 0.0 110.035 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -89.21 112.22 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.482 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 57.49 39.59 27.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.817 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 66.78 21.3 10.53 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.094 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -138.53 168.23 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 121.218 0.532 . . . . 0.0 110.858 -179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.645 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.786 0.326 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.45 157.54 16.8 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.835 2.357 . . . . 0.0 111.924 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 tt -50.4 -49.11 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.93 44.13 2.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.218 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.28 176.48 9.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.816 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -74.36 162.62 28.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.994 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 38.7 t -131.0 161.75 31.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.784 0.802 . . . . 0.0 112.726 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 58.9 mtm180 -124.41 -34.73 2.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.635 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -161.66 146.96 13.47 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 1.9 m-20 -51.66 -40.07 59.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.955 0.343 . . . . 0.0 111.296 -178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.57 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 61.3 p -56.77 -36.54 69.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.204 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.43 -30.0 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.269 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.2 m -84.47 134.6 34.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -178.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 24' ' ' ILE . 6.5 tt -56.16 -34.13 38.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -14.22 57.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.324 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 60.93 30.29 19.53 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 111.034 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD11 HH11 ' A' ' 29' ' ' ARG . 11.1 tp -130.36 95.11 3.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.033 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.4 65.67 6.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 HH11 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.59 134.61 41.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -177.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.59 29.84 18.42 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.407 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 65.72 20.4 11.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.528 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -129.45 167.5 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 64.1 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.39 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 25.4 Cg_exo -63.65 -178.72 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.188 2.592 . . . . 0.0 113.071 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -55.0 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.178 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.81 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.861 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.14 170.48 9.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.13 0.491 . . . . 0.0 111.608 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 m -86.05 161.8 18.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.446 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.1 t -138.05 160.47 39.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -31.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.394 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 15.3 t70 -156.29 156.09 33.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 63.5 m-20 -53.37 -41.85 66.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 118.427 0.558 . . . . 0.0 111.333 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -64.04 -16.28 61.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.775 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.5 mm-40 -76.54 -27.62 56.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 110.123 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.7 m -97.61 145.36 26.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 tt -58.05 -35.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.009 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -84.93 -3.1 58.59 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.35 39.35 30.13 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.246 0.545 . . . . 0.0 110.495 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 tp -138.53 95.77 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.749 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.14 114.22 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.016 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 17.0 ttt-85 -132.6 132.05 42.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.741 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' C ' ' A' ' 29' ' ' ARG . 21.3 pttt 48.24 38.39 10.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.994 0.918 . . . . 0.0 111.929 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 65.46 24.61 11.91 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.227 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -140.77 170.54 15.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 C--N 1.316 -0.869 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.785 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.551 0.215 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 23.3 Cg_exo -65.39 162.83 31.94 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.574 2.183 . . . . 0.0 111.017 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.98 -37.04 77.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.31 0.576 . . . . 0.0 110.48 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.1 47.28 3.79 Favored Glycine 0 C--N 1.317 -0.51 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.2 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.69 -179.61 7.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 111.663 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -81.23 162.59 23.49 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 49.0 t -125.7 163.72 22.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.942 0.877 . . . . 0.0 112.409 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.747 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 3.6 tpm_? -133.95 -34.25 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.408 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.5 t70 -161.36 158.44 26.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.659 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 37.3 m-20 -54.97 -42.14 72.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.911 0.778 . . . . 0.0 110.087 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -25.64 66.31 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.312 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.747 ' HG3' ' HB3' ' A' ' 18' ' ' ARG . 16.2 mm-40 -67.79 -35.31 78.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.66 141.32 31.59 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.514 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 tt -53.07 -40.64 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.672 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.44 8.86 38.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 52.43 54.27 10.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.463 0.649 . . . . 0.0 110.968 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.94 93.63 2.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.503 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.24 99.9 12.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -116.73 119.94 37.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.9 0.381 . . . . 0.0 111.86 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.2 mttt 58.19 38.57 26.29 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.198 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 9.0 tpt180 72.92 3.65 4.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.865 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -122.97 169.52 11.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.317 -0.847 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.106 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.67 166.54 8.01 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.065 2.51 . . . . 0.0 113.434 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.4 mt -55.43 -67.58 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.806 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.55 42.83 1.29 Allowed Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.093 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.19 -179.53 4.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 111.378 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 m -83.99 158.95 21.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.108 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.5 t -126.22 159.34 33.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.57 0.7 . . . . 0.0 112.079 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.691 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 64.2 mtm180 -131.75 -27.95 1.85 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.511 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.1 t70 -165.89 157.09 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.5 m-20 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.301 0.955 . . . . 0.0 110.432 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -62.6 -22.73 66.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.985 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.691 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 8.0 mm-40 -73.45 -31.5 63.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.94 139.26 31.96 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.82 -34.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.617 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -0.51 57.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.1 tpp180 59.08 40.33 22.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.068 0.461 . . . . 0.0 110.791 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tt -137.65 94.49 2.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.026 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -91.26 108.34 19.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.623 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.553 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 49.1 ttt180 -131.95 133.62 44.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.517 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 56.64 31.02 18.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.836 0.855 . . . . 0.0 112.01 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 68.22 20.3 8.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 mpt_? -140.34 165.79 26.47 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 99.4 m . . . . . 0 C--N 1.313 -0.993 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 5.1 Cg_exo -75.22 -163.61 0.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.131 2.554 . . . . 0.0 111.222 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tt -65.04 -55.19 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.87 44.87 2.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.215 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.489 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -123.16 173.77 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 112.271 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 3.6 m -90.17 163.22 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.854 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.1 t -129.31 157.4 41.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.19 0.995 . . . . 0.0 113.67 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 7.1 tmm_? -130.29 -34.52 1.62 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.583 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.32 151.98 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.2 m-20 -54.73 -36.97 65.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 119.009 0.822 . . . . 0.0 110.746 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.03 -21.57 66.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.2 mm-40 -71.74 -28.57 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.095 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.81 135.92 38.09 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.309 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 HG21 HD13 ' A' ' 24' ' ' ILE . 10.5 tt -52.89 -38.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.602 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -3.39 58.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 46.2 ttt85 52.78 58.48 5.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.395 0.617 . . . . 0.0 111.269 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.61 89.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.0 79.93 7.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.149 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -110.51 134.86 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.519 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm 63.45 28.05 15.31 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.712 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 5.3 tpt180 63.31 20.71 12.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.084 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 40.8 mtp180 -140.33 167.75 21.42 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 56.5 m . . . . . 0 C--N 1.316 -0.854 0 CA-C-O 121.043 0.449 . . . . 0.0 110.426 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HB2' ' A' ' 22' ' ' GLU . 8.8 ttp180 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.562 0.22 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.65 173.21 9.31 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.438 2.758 . . . . 0.0 113.281 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 3.8 mm -59.62 -59.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.884 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.28 35.27 0.79 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 114.508 0.563 . . . . 0.0 114.508 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.62 173.09 6.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.506 0.653 . . . . 0.0 111.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.796 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 4.6 m -78.15 -176.68 4.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.004 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . 41.1 t -159.42 164.38 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.877 0.846 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 mmt180 -132.66 -37.85 1.03 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.947 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.08 141.6 26.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.606 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.32 -34.95 62.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.966 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.553 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.9 m -59.67 -23.94 63.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.577 ' HB2' ' NH2' ' A' ' 11' ' ' ARG . 2.0 mt-10 -87.93 -12.18 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.5 m -97.95 138.34 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 111.428 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 tt -53.25 -37.81 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.702 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -14.53 59.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' NE ' ' HA ' ' A' ' 21' ' ' SER . 4.9 tpt180 61.38 28.38 17.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.261 0.553 . . . . 0.0 110.312 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -135.04 105.66 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.329 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.2 65.73 6.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.75 0.786 . . . . 0.0 109.444 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -83.18 127.67 33.82 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.826 -178.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 58.88 33.25 22.93 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.463 0.649 . . . . 0.0 109.872 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 31' ' ' ARG . 6.1 tpp180 60.78 29.64 19.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.669 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.796 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 9.6 mtt180 -135.94 174.35 10.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.905 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 72.6 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 121.404 0.621 . . . . 0.0 111.585 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.852 0.358 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.81 159.59 38.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.668 2.246 . . . . 0.0 111.327 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pt -55.57 -38.51 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 111.263 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.43 40.42 2.4 Favored Glycine 0 C--N 1.317 -0.5 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.196 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.53 -178.03 5.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.274 0.537 . . . . 0.0 111.965 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -87.05 161.02 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.888 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 42.1 t -135.57 165.25 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.628 0.728 . . . . 0.0 112.374 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 33.1 mtp-105 -134.85 -31.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.094 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -151.76 143.86 23.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.1 m-20 -53.46 -38.99 64.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.094 0.406 . . . . 0.0 111.348 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -64.3 -17.92 64.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.507 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.62 -13.91 57.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.683 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -103.01 144.9 30.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 111.174 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 24' ' ' ILE . 8.6 tt -57.15 -37.14 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.134 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -9.35 59.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.186 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.708 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 54.69 39.41 31.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.269 0.557 . . . . 0.0 110.539 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.765 ' HG ' ' HG2' ' A' ' 29' ' ' ARG . 18.8 tp -135.24 97.68 3.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.388 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.79 75.8 8.86 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.76 0.79 . . . . 0.0 110.251 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.765 ' HG2' ' HG ' ' A' ' 27' ' ' LEU . 8.7 mmm180 -93.12 122.5 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.208 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 58.52 37.67 25.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 63.06 25.32 14.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -134.28 168.81 18.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.653 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.298 0.57 . . . . 0.0 111.52 -179.424 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.746 0.308 . . . . 0.0 111.584 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 8.0 Cg_exo -73.42 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.236 2.624 . . . . 0.0 111.916 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 2.2 mt -63.21 -69.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 45.75 1.15 Allowed Glycine 0 C--N 1.316 -0.566 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.361 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -117.82 169.39 9.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.594 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 m -87.58 155.03 20.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.203 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -124.92 160.28 29.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.054 0.931 . . . . 0.0 113.15 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -134.9 -35.14 0.87 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.809 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -154.11 152.57 30.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.2 m-20 -52.91 -38.46 61.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.867 0.758 . . . . 0.0 111.216 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.15 -20.36 65.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.1 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.4 mm-40 -70.47 -29.51 66.08 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.097 0.475 . . . . 0.0 110.055 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.8 139.6 33.43 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.344 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 tt -51.89 -42.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.17 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.88 0.25 40.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 55.14 46.18 24.47 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 -179.682 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.3 96.18 3.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.828 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.8 t -89.38 101.6 14.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.081 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 14.6 ttt180 -118.26 124.73 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.493 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER 49.58 36.95 11.38 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.069 0.947 . . . . 0.0 112.295 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 70.24 21.59 5.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.575 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -137.36 170.68 15.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 61.6 m . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 121.042 0.448 . . . . 0.0 109.959 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -154.82 -54.96 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.159 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 6.9 Cg_exo -74.62 75.82 3.41 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.363 2.042 . . . . 0.0 112.703 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.77 ' HA ' HD11 ' A' ' 24' ' ' ILE . 72.2 m-85 -71.81 -18.42 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.195 0.522 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.552 ' HE3' HG13 ' A' ' 13' ' ' ILE . 2.3 p90 -112.47 44.37 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.066 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 45.5 mmt-85 -133.75 -179.0 5.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.591 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.32 68.2 2.41 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.768 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 24' ' ' ILE . 12.4 m -82.68 -177.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.777 0.322 . . . . 0.0 110.433 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.87 5.26 14.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 111.801 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.5 mt -132.51 -165.76 1.65 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.847 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.86 123.75 63.99 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 13.1 Cg_exo -68.76 172.75 11.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.782 2.321 . . . . 0.0 111.679 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.793 HG23 ' HA ' ' A' ' 34' ' ' SER . 15.3 mm -54.03 -58.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.461 . . . . 0.0 111.601 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.13 45.84 1.47 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 172.06 13.54 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.398 0.618 . . . . 0.0 111.59 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -86.16 157.43 20.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.26 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.6 t -124.87 163.49 22.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.45 0.643 . . . . 0.0 111.954 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 48.6 mtt180 -132.53 -31.81 1.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.193 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 6.8 t70 -158.84 153.78 25.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 8.8 m-20 -52.21 -38.82 59.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 119.301 0.955 . . . . 0.0 111.102 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -61.23 -24.06 66.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.629 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.71 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 15.6 mm-40 -69.09 -33.16 73.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.2 m -85.69 142.89 28.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.35 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.77 HD11 ' HA ' ' A' ' 4' ' ' PHE . 8.4 tt -55.7 -37.97 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.008 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.42 4.48 48.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 55.87 46.29 22.43 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.097 0.475 . . . . 0.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 38' ' ' ALA . 4.1 tt -141.79 101.81 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -90.57 85.96 6.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.798 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' A' ' 37' ' ' VAL . 29.6 ttt180 -79.72 93.71 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.157 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HZ3' ' C ' ' A' ' 40' ' ' GLU . 30.3 mttt 53.68 49.78 18.55 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.576 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 17' ' ' CYS . 6.2 ttm180 70.56 17.03 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.933 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -130.69 157.96 41.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m -91.05 158.9 16.41 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.793 ' HA ' HG23 ' A' ' 13' ' ' ILE . 10.6 p -177.92 172.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.889 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.93 -157.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.48 52.71 0.29 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.374 0.607 . . . . 0.0 110.49 178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 2.5 m -128.15 59.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.59 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -84.68 58.15 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.71 110.37 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' C ' ' HZ3' ' A' ' 30' ' ' LYS . 2.1 pt-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.939 -1.029 . . . . 0.0 108.833 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HG2' ' H ' ' A' ' 2' ' ' THR . 28.6 ttm . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.531 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -57.19 -56.9 28.88 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.268 0.355 . . . . 0.0 110.853 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.453 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 59.3 Cg_endo -74.52 94.27 0.92 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.611 1.541 . . . . 0.0 110.68 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.519 ' HE2' HD21 ' A' ' 35' ' ' LEU . 39.3 t80 -54.58 -37.21 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.2 p90 -102.28 10.04 39.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 6' ' ' ARG . 46.8 mmt-85 -150.06 33.1 0.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 111.469 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.65 49.69 0.39 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.325 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.519 HG13 HD13 ' A' ' 24' ' ' ILE . 4.2 m -140.89 156.9 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.69 8.47 22.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.61 0.719 . . . . 0.0 111.369 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.97 -172.31 2.19 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.382 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.61 119.67 69.01 Favored Pre-proline 0 C--N 1.306 -1.306 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.947 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.83 175.55 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.751 2.301 . . . . 0.0 112.152 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 35' ' ' LEU . 2.8 tt -55.26 -49.18 74.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.893 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.02 50.81 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.418 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.2 163.78 31.95 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 111.706 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.43 157.74 28.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.769 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.4 t -130.72 159.03 38.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 112.522 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 18' ' ' ARG . 3.2 ttp-105 -143.66 -2.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.335 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -177.89 143.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.589 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.0 m-20 -56.02 -35.77 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.227 0.467 . . . . 0.0 110.641 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -59.7 -26.52 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.477 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 72.0 mm-40 -71.1 -34.65 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -80.62 139.91 36.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.124 0.488 . . . . 0.0 110.743 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 HG13 ' A' ' 8' ' ' VAL . 5.4 tt -52.45 -40.25 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.546 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.74 10.44 40.05 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 53.2 ttm-85 52.44 59.58 4.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.474 0.654 . . . . 0.0 110.315 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.665 HD21 ' O ' ' A' ' 35' ' ' LEU . 5.3 tp -147.73 87.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.032 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -87.28 95.04 9.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.522 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.645 HH12 ' CD ' ' A' ' 40' ' ' GLU . 31.3 mtm180 -107.59 117.91 35.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.914 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 55.83 42.3 29.16 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.437 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 64.96 18.35 11.46 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.053 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -131.64 161.74 32.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.31 162.41 19.11 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.426 0.631 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.1 m -158.27 161.01 37.68 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.655 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.665 ' O ' HD21 ' A' ' 27' ' ' LEU . 89.8 mt -85.9 -157.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.3 65.47 0.42 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.21 0.528 . . . . 0.0 111.072 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.73 79.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.692 . . . . 0.0 109.306 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.83 56.4 0.62 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -129.03 -13.27 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.645 ' CD ' HH12 ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.843 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ttt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.445 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -67.11 -54.77 18.28 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 13.6 Cg_endo -57.7 128.13 27.99 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.847 1.698 . . . . 0.0 111.836 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.26 64.4 7.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.562 ' HE3' HD12 ' A' ' 24' ' ' ILE . 34.0 m95 -85.56 17.98 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.72 146.1 37.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.53 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.51 41.31 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.6 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.606 ' HB ' HD21 ' A' ' 10' ' ' LEU . 3.2 m -114.13 164.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.586 0.231 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.45 7.97 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.619 0.723 . . . . 0.0 111.887 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD21 ' HB ' ' A' ' 8' ' ' VAL . 1.9 pt? -132.5 -154.52 0.62 Allowed 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.466 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.45 125.85 58.39 Favored Pre-proline 0 C--N 1.307 -1.253 0 CA-C-O 120.985 0.422 . . . . 0.0 112.021 -177.639 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.56 -174.06 2.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.619 2.212 . . . . 0.0 110.841 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG12 ' HB3' ' A' ' 5' ' ' TRP . 9.2 mm -60.57 -58.22 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.381 . . . . 0.0 111.921 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.64 46.25 1.66 Allowed Glycine 0 C--N 1.318 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.342 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.38 178.13 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.19 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 18.9 m -89.51 167.81 12.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.664 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 46.5 t -138.82 163.94 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.73 0.776 . . . . 0.0 112.672 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 60.3 mtt180 -130.52 -35.1 1.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.194 -1.367 . . . . 0.0 108.608 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.57 154.87 32.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 46.3 m-20 -50.05 -42.44 49.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.35 0.523 . . . . 0.0 111.613 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -62.85 -19.75 64.43 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.499 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.8 mm-40 -74.19 -25.63 59.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.784 0.326 . . . . 0.0 110.217 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 73.6 m -97.49 139.5 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.951 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.581 HD13 HG11 ' A' ' 8' ' ' VAL . 8.1 tt -50.77 -38.39 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.763 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -2.3 51.2 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.68 41.54 28.2 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.269 0.556 . . . . 0.0 110.325 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD12 ' HB1' ' A' ' 38' ' ' ALA . 2.6 tt -141.28 102.66 4.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.74 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -90.52 85.22 6.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 110.876 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -83.66 106.9 15.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.921 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 mttp 54.95 43.07 30.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.785 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 66.65 22.78 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.105 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -135.8 163.7 29.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.05 153.83 20.27 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.034 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 m -162.29 176.33 10.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.823 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 36' ' ' SER . 11.6 tp -82.47 -155.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.591 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -73.57 50.72 0.33 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.263 0.554 . . . . 0.0 110.82 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 m -113.52 62.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.818 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.569 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -79.28 67.37 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.91 22.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.389 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.033 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HE2' ' HA ' ' A' ' 4' ' ' PHE . 59.2 ttp . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -55.98 1.33 Allowed Pre-proline 0 CA--C 1.537 0.478 0 O-C-N 123.278 0.361 . . . . 0.0 111.756 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -75.01 83.07 1.88 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.686 1.591 . . . . 0.0 112.14 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 11.0 t80 -62.47 -21.61 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.405 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 p-90 -77.96 8.66 4.41 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.199 0.523 . . . . 0.0 110.838 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.509 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 4.7 mmp_? -119.31 -4.91 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.274 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.61 67.45 0.37 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.687 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 24' ' ' ILE . 14.4 p -132.43 157.06 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.041 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -87.79 15.27 7.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.408 0.623 . . . . 0.0 111.463 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.58 -165.1 1.43 Allowed 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.371 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.21 124.31 63.46 Favored Pre-proline 0 C--N 1.312 -1.063 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.391 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 22.2 Cg_exo -66.26 167.27 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.797 2.331 . . . . 0.0 111.906 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.732 HD11 ' HG ' ' A' ' 35' ' ' LEU . 2.8 tt -54.62 -49.23 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.6 47.51 3.49 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.15 171.67 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.257 0.551 . . . . 0.0 111.895 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -84.26 161.87 20.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.751 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 42.2 t -133.76 163.39 29.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.871 0.843 . . . . 0.0 112.053 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -129.01 -36.2 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.551 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.9 t70 -152.65 152.17 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.658 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 m-20 -52.11 -40.32 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.426 0.557 . . . . 0.0 111.384 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -61.54 -20.91 63.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.811 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.5 mm-40 -72.09 -32.31 66.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.194 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 95.0 m -88.06 146.53 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG13 HG22 ' A' ' 8' ' ' VAL . 7.8 tt -54.47 -38.79 42.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.466 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -1.98 58.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 14.0 ttp180 57.13 50.86 11.16 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.344 0.593 . . . . 0.0 110.552 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 35' ' ' LEU . 14.8 tp -147.21 97.93 2.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.625 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.2 t -89.47 75.61 7.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.017 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.593 ' HD2' ' O ' ' A' ' 39' ' ' GLN . 35.2 ttp85 -87.77 128.08 35.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.27 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 57.4 28.58 15.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.357 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 61.3 30.71 19.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.888 0.851 . . . . 0.0 109.894 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.0 mtt-85 -140.45 174.16 10.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.298 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 71.7 m -89.74 153.92 20.32 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.48 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -162.14 164.71 27.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.388 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.732 ' HG ' HD11 ' A' ' 13' ' ' ILE . 96.5 mt -81.98 -158.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 63.63 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.282 0.563 . . . . 0.0 110.779 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.39 77.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.578 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.5 56.64 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.296 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.593 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 25.6 mt-30 -132.92 105.65 7.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.959 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.47 179.664 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.67 125.57 10.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 123.244 0.34 . . . . 0.0 110.538 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 87.3 Cg_endo -79.45 51.06 3.72 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.975 2.45 . . . . 0.0 113.098 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -69.97 -36.59 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.035 0.445 . . . . 0.0 110.64 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -154.53 20.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.23 0.538 . . . . 0.0 110.337 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.497 ' O ' ' HA ' ' A' ' 3' ' ' PRO . 54.4 mtm180 -151.43 126.07 9.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.733 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.73 -11.25 56.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.58 HG21 ' H ' ' A' ' 10' ' ' LEU . 7.8 p -78.17 149.66 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.221 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -85.28 9.17 16.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.559 0.695 . . . . 0.0 111.586 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.58 ' H ' HG21 ' A' ' 8' ' ' VAL . 73.8 mt -119.53 -168.24 1.55 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.58 128.78 47.35 Favored Pre-proline 0 C--N 1.31 -1.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -71.5 174.95 10.15 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.431 2.087 . . . . 0.0 111.48 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.37 -40.05 82.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.02 47.89 3.93 Favored Glycine 0 C--N 1.318 -0.471 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.253 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.68 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.385 0.612 . . . . 0.0 112.345 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -89.9 171.61 9.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.877 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' HB3' ' C ' ' A' ' 31' ' ' ARG . 45.2 t -138.15 162.19 34.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.72 0.772 . . . . 0.0 112.425 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -137.18 -25.53 1.05 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.664 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -157.71 149.73 22.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 m-20 -52.56 -42.06 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.269 0.94 . . . . 0.0 110.566 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.56 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -62.26 -16.56 54.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.259 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.7 -35.02 74.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -87.13 147.45 25.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.287 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 tt -55.13 -37.46 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -2.87 44.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.514 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.18 44.53 24.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 109.97 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.5 tp -147.31 112.69 5.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.13 102.01 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.394 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 tpt85 -91.25 95.17 9.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.4 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HZ2' ' CD ' ' A' ' 40' ' ' GLU . 36.7 mmtt 54.85 44.88 27.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 25.8 ttt180 69.61 20.3 7.07 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.461 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -138.04 166.51 23.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.0 m -90.75 151.51 21.18 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.151 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 m -167.15 -179.84 4.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.091 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.72 -159.39 0.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.8 55.1 0.27 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 111.087 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.57 39.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.78 126.95 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.665 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -168.26 114.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.335 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' CD ' ' HZ2' ' A' ' 30' ' ' LYS . 12.3 mm-40 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.134 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -103.36 132.97 20.58 Favored Pre-proline 0 C--N 1.319 -0.728 0 O-C-N 123.263 0.352 . . . . 0.0 110.479 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 11.6 Cg_exo -71.5 78.02 1.66 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.07 2.513 . . . . 0.0 112.167 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -77.9 -2.74 38.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -73.03 78.56 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.305 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -110.84 -59.83 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.457 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.03 66.49 3.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.726 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 10' ' ' LEU . 2.5 t -78.04 131.97 33.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.073 0.463 . . . . 0.0 111.286 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -114.99 10.08 16.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.262 1.029 . . . . 0.0 109.437 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' H ' HG12 ' A' ' 8' ' ' VAL . 79.2 mt -138.54 -153.8 0.49 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.279 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.617 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.92 122.23 85.23 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 27.4 Cg_exo -62.12 158.48 39.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.102 2.535 . . . . 0.0 112.846 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.515 HD12 HD22 ' A' ' 35' ' ' LEU . 1.6 tp -53.0 -52.35 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.44 31.7 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.418 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.99 178.77 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.15 0.475 . . . . 0.0 111.804 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -82.79 166.38 19.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.956 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 34.5 t -143.23 163.54 32.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.647 0.737 . . . . 0.0 112.636 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 54.1 mtm180 -133.33 -28.47 1.48 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.391 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -154.75 141.86 19.36 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.2 m-20 -53.97 -36.32 62.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.477 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 m -61.66 -26.41 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.27 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 11.6 mt-10 -76.22 -20.56 57.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 90.2 m -94.56 140.94 29.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.419 0.628 . . . . 0.0 111.996 -178.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.488 ' HB ' HG11 ' A' ' 8' ' ' VAL . 9.2 tt -58.93 -36.56 62.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.194 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 HG21 ' HB3' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -77.67 -13.34 59.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.451 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER 59.11 33.55 22.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.152 -178.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' O ' ' A' ' 34' ' ' SER . 2.1 tt -138.62 101.16 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.52 76.96 6.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.616 0.722 . . . . 0.0 110.143 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 11.0 tpt180 -89.48 123.32 33.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.667 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 17.2 ptmt 48.45 42.85 19.19 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.138 0.975 . . . . 0.0 111.986 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 67.32 29.47 7.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.555 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -136.1 168.0 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m -89.15 8.65 28.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.255 0.55 . . . . 0.0 111.898 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.526 ' O ' HD22 ' A' ' 27' ' ' LEU . 5.2 m -62.14 140.84 58.41 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.192 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 HD22 HD12 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -77.46 -156.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.24 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.75 44.38 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.082 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.487 HG23 ' HG ' ' A' ' 35' ' ' LEU . 19.1 m -127.68 13.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.791 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.7 109.69 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.576 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.02 29.68 0.12 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.195 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.379 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.8 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 ttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 125.09 25.35 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 123.116 0.26 . . . . 0.0 110.404 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 5' ' ' TRP . 36.4 Cg_exo -62.01 -30.31 82.9 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.886 2.391 . . . . 0.0 112.271 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -77.29 34.44 0.16 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.644 ' HA ' ' HB2' ' A' ' 12' ' ' PRO . 16.1 t90 -128.65 -14.71 4.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -125.95 142.93 51.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.273 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.43 14.52 82.41 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.623 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' A' ' 12' ' ' PRO . 2.7 t -86.27 136.28 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.713 0.292 . . . . 0.0 110.67 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.11 8.86 41.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.073 0.939 . . . . 0.0 110.32 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.2 pt? -142.42 -145.96 0.18 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.816 ' HD2' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -89.84 119.7 69.41 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-O 120.968 0.413 . . . . 0.0 111.141 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.644 ' HB2' ' HA ' ' A' ' 5' ' ' TRP . 58.8 Cg_endo -77.33 173.49 14.23 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.683 2.255 . . . . 0.0 111.141 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 tt -56.6 -49.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.59 50.61 4.39 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.39 179.35 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.746 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.8 m -88.83 167.88 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.79 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.472 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 9.7 t -161.68 161.3 29.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 112.33 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -132.13 -26.29 1.93 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.122 177.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.6 t70 -141.96 138.84 32.23 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 5.3 m-20 -53.82 -33.65 56.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -60.86 -18.74 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.456 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.816 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 28.5 mt-10 -78.66 -33.47 47.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.412 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.1 m -86.04 136.55 33.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.216 0.531 . . . . 0.0 111.605 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HA ' HD11 ' A' ' 10' ' ' LEU . 7.9 tt -55.29 -35.3 36.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.961 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -85.31 -5.4 59.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.426 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 4.2 tpt180 57.89 36.67 26.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.024 0.44 . . . . 0.0 110.62 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.744 HD22 ' HD3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -132.66 92.79 3.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.266 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -91.26 125.0 35.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.683 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.744 ' HD3' HD22 ' A' ' 27' ' ' LEU . 7.1 mtp85 -144.62 123.63 12.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 56.28 43.5 26.35 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.135 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 22.6 tpt85 67.84 15.78 9.62 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 111.488 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 4.8 mtt85 -137.0 170.43 16.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 95.3 m -89.34 162.76 15.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -158.32 -172.13 3.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.432 0.634 . . . . 0.0 110.937 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 25' ' ' THR . 49.3 tp -158.95 176.96 11.66 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -74.23 55.62 0.6 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.296 0.569 . . . . 0.0 109.719 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.4 11.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.527 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -175.44 172.23 2.69 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.9 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.573 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 6.9 tp60 -99.31 178.91 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.573 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 5.1 mm-40 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.679 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HB3' ' H ' ' A' ' 2' ' ' THR . 9.2 tpt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -65.06 -57.32 15.98 Favored Pre-proline 0 CA--C 1.536 0.441 0 O-C-N 123.037 0.211 . . . . 0.0 111.284 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 5.0 Cg_exo -75.21 122.83 7.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.858 1.706 . . . . 0.0 111.281 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -99.27 69.95 1.72 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 0.0 110.415 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -71.56 5.44 2.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -112.92 1.25 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.582 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.74 81.66 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.803 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -148.16 157.48 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.79 0.329 . . . . 0.0 110.149 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -88.02 11.89 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.701 0.762 . . . . 0.0 111.142 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 -167.78 1.38 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.39 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -91.14 119.46 68.78 Favored Pre-proline 0 C--N 1.307 -1.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.9 Cg_exo -66.6 172.18 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.889 2.393 . . . . 0.0 111.986 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.728 HD12 ' HG ' ' A' ' 35' ' ' LEU . 5.3 tt -56.95 -46.94 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.775 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.89 43.03 2.76 Favored Glycine 0 C--N 1.316 -0.528 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.965 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.29 173.16 11.55 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.154 0.502 . . . . 0.0 111.981 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.6 167.25 15.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.583 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.23 160.7 41.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.465 0.65 . . . . 0.0 112.218 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -134.7 -26.57 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.705 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -154.07 146.01 23.55 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.62 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 12.1 m-20 -53.16 -37.85 62.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.909 0.322 . . . . 0.0 111.746 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -60.27 -20.35 58.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.95 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.9 mt-10 -77.2 -32.65 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.793 0.33 . . . . 0.0 110.115 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.2 m -79.16 139.67 37.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 tt -53.27 -38.65 31.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.24 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.63 12.18 36.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 50.8 54.81 10.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.172 0.51 . . . . 0.0 111.878 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD11 ' O ' ' A' ' 35' ' ' LEU . 1.1 tt -144.82 94.36 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -90.04 90.68 8.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.345 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -100.25 117.99 35.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 30' ' ' LYS . 20.1 ptmt 49.64 47.43 22.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.346 1.058 . . . . 0.0 112.787 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 67.3 20.42 10.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.781 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.62 162.27 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.066 0.46 . . . . 0.0 109.951 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 54.0 m -91.69 160.3 15.43 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.426 ' HB2' HG21 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -166.38 168.84 14.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.691 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 13' ' ' ILE . 82.9 mt -85.01 -150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -71.52 67.73 0.54 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.2 0.524 . . . . 0.0 110.42 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG21 ' HB2' ' A' ' 34' ' ' SER . 1.4 m -142.29 85.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.072 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -85.77 -49.85 7.61 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.125 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.05 -5.66 10.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.61 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' HG2' HG12 ' A' ' 37' ' ' VAL . 1.8 pm0 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.122 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.484 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -80.73 127.53 74.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.321 0.388 . . . . 0.0 110.684 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 6.4 Cg_exo -74.19 60.24 4.72 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.273 2.649 . . . . 0.0 112.241 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' HE2' HG22 ' A' ' 13' ' ' ILE . 38.2 t80 -76.7 -21.96 54.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.367 0.603 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 12' ' ' PRO . 50.1 p-90 -128.33 157.68 40.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.628 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -132.97 152.85 51.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.559 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.98 69.76 3.19 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.794 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 10' ' ' LEU . 16.5 m -82.68 -169.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.02 0.438 . . . . 0.0 111.078 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -82.23 15.34 2.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.403 0.621 . . . . 0.0 111.561 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' H ' HG22 ' A' ' 8' ' ' VAL . 74.6 mt -136.14 -166.93 1.95 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 22' ' ' GLU . 24.5 mtp85 -90.26 132.98 34.18 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HB2' ' HB2' ' A' ' 5' ' ' TRP . 60.5 Cg_endo -76.33 162.64 33.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.878 2.385 . . . . 0.0 112.345 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG22 ' HE2' ' A' ' 4' ' ' PHE . 10.2 mm -50.93 -58.56 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.66 41.62 0.68 Allowed Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.615 -0.721 . . . . 0.0 113.767 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.26 177.15 7.98 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.29 0.566 . . . . 0.0 111.604 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 p -81.6 169.05 17.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.395 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 44.3 t -148.7 162.76 39.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.466 0.65 . . . . 0.0 111.8 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 89.5 mtm180 -132.95 -29.49 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.505 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -155.17 145.12 21.6 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.553 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 10.1 m-20 -52.83 -34.3 53.32 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -59.84 -27.37 66.59 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 9.8 mt-10 -74.18 -26.46 60.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.03 135.87 34.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.407 0.622 . . . . 0.0 111.441 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.21 -34.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.554 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.568 HG22 ' HG ' ' A' ' 35' ' ' LEU . 11.3 t -107.93 10.06 28.52 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 49.4 ttm-85 53.25 57.62 6.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.567 0.699 . . . . 0.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.669 HD11 ' HA ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -143.57 84.19 1.79 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.64 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.46 70.35 10.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.048 0.927 . . . . 0.0 109.191 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.664 HH12 ' HA ' ' A' ' 40' ' ' GLU . 40.3 ttm-85 -83.74 117.14 23.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.685 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HZ3' ' C ' ' A' ' 40' ' ' GLU . 58.7 mttm 54.7 44.26 28.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.338 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 66.2 21.25 11.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.829 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -135.96 170.93 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 m -88.25 14.35 9.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.176 0.512 . . . . 0.0 112.116 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.72 127.64 14.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.171 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.669 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.6 mt -79.49 -167.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.688 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -77.86 38.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 0.0 110.296 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' H ' ' C ' ' A' ' 35' ' ' LEU . 14.3 m -110.51 16.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.874 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.93 150.72 41.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.182 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -62.06 156.6 20.98 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.227 0.329 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.664 ' HA ' HH12 ' A' ' 29' ' ' ARG . 5.5 mm-40 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.265 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -119.94 121.17 29.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 123.186 0.304 . . . . 0.0 110.767 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 4.3 Cg_exo -77.77 -15.4 15.17 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.052 2.501 . . . . 0.0 112.949 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -118.08 -63.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.764 ' HB3' HD11 ' A' ' 24' ' ' ILE . 72.3 t-105 -172.98 -50.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.179 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.618 ' HB2' HD13 ' A' ' 24' ' ' ILE . 5.7 mmp_? -130.69 -167.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.484 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.05 -25.81 50.93 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.796 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.5 138.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -100.56 108.55 20.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.801 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 24' ' ' ILE . 1.7 pt? -159.62 -150.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -73.52 114.84 35.66 Favored Pre-proline 0 C--N 1.316 -0.879 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.615 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.62 165.82 26.14 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.67 2.247 . . . . 0.0 111.617 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 HD11 ' HG ' ' A' ' 35' ' ' LEU . 5.1 tt -58.81 -49.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.84 0.353 . . . . 0.0 111.514 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.07 47.52 3.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 169.1 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.553 ' HA ' ' HG3' ' A' ' 32' ' ' ARG . 1.5 m -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.108 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -164.59 165.41 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.807 0.813 . . . . 0.0 112.358 -177.559 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 4.0 tpt85 -124.9 -29.6 3.35 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.47 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -137.72 139.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.719 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.6 m-20 -52.09 -37.78 55.08 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -54.34 -23.8 16.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.449 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -80.3 -35.11 36.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 77.3 m -77.28 140.15 39.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.544 0.687 . . . . 0.0 112.22 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.764 HD11 ' HB3' ' A' ' 5' ' ' TRP . 17.4 tt -56.67 -37.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.267 -1.333 . . . . 0.0 111.784 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.24 -2.81 58.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.934 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 53.77 48.15 22.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.979 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -151.34 95.5 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.709 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.87 134.15 35.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.055 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -148.66 134.88 19.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.6 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 57.36 34.17 24.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.495 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 67.24 26.21 8.69 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.242 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.553 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -145.1 172.46 13.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.6 m -85.61 159.58 19.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.8 m -155.43 171.49 19.8 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 13' ' ' ILE . 1.5 mt -90.13 -157.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.72 53.28 0.32 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.05 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.49 95.7 6.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -127.34 12.19 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.05 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.246 0.888 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.35 120.75 66.33 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.26 91.34 1.12 Allowed 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.756 2.304 . . . . 0.0 112.264 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -131.9 87.53 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.261 0.553 . . . . 0.0 110.606 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -78.39 163.3 25.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.274 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -125.82 134.32 51.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.091 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.67 -34.1 86.42 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.58 96.99 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.458 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -178.61 -144.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.904 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' CD2' ' H ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -84.07 -140.87 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.917 179.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.664 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.36 115.82 58.91 Favored Pre-proline 0 C--N 1.31 -1.109 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.229 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 6.1 Cg_exo -74.33 -175.75 2.38 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.968 2.445 . . . . 0.0 111.477 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.753 HD13 ' HB2' ' A' ' 35' ' ' LEU . 4.3 tt -60.3 -48.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.73 49.32 3.88 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.673 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.11 168.36 20.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.189 0.519 . . . . 0.0 111.862 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -80.53 168.71 18.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.391 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.8 t -141.13 161.21 38.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.889 0.852 . . . . 0.0 112.79 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 2.9 tpm_? -129.5 -33.93 1.84 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.809 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.3 t70 -161.73 157.99 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.636 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 34.5 m-20 -53.74 -34.15 58.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.746 0.703 . . . . 0.0 111.194 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -58.0 -24.01 56.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.423 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 12.8 mm-40 -74.83 -32.56 61.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.6 m -88.98 136.37 33.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.407 0.622 . . . . 0.0 111.445 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.91 -37.0 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.505 -1.225 . . . . 0.0 113.002 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.98 7.19 47.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.636 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.4 OUTLIER 54.62 58.45 4.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.968 0.89 . . . . 0.0 109.221 -178.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tp -145.88 83.04 1.63 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.536 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.98 104.84 17.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.878 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -119.32 120.69 37.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 57.47 40.47 27.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.851 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 66.81 19.29 10.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.427 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -134.92 168.75 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m -90.61 165.53 13.69 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.22 0.533 . . . . 0.0 110.678 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -158.06 159.57 36.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.996 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.753 ' HB2' HD13 ' A' ' 13' ' ' ILE . 1.3 tp -108.46 -160.23 0.72 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.628 ' HA ' ' O ' ' A' ' 40' ' ' GLU . 4.9 m -67.65 70.09 0.12 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.461 0.648 . . . . 0.0 111.761 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 46.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.626 0.727 . . . . 0.0 109.255 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -163.8 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.529 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -161.7 -64.77 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.311 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.628 ' O ' ' HA ' ' A' ' 36' ' ' SER . 1.4 tp10 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.6 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.623 ' HE2' ' HA ' ' A' ' 4' ' ' PHE . 56.1 ttp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.482 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -66.57 -58.25 10.46 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.786 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.482 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 94.7 Cg_endo -81.44 68.27 8.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.727 1.618 . . . . 0.0 112.179 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.623 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 10.4 m-85 -54.71 -50.1 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -128.14 154.07 46.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.992 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.36 173.5 10.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.06 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.78 -77.01 1.05 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.85 97.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -157.27 -152.22 0.35 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.916 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.39 -151.45 0.1 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.05 0.452 . . . . 0.0 109.856 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.75 125.51 91.4 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.974 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 24.3 Cg_exo -64.34 -171.74 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.166 2.577 . . . . 0.0 113.253 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 HG23 ' HG ' ' A' ' 35' ' ' LEU . 1.3 mt -58.14 -72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.641 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 40.91 0.86 Allowed Glycine 0 C--N 1.318 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 113.489 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.94 171.56 7.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.134 0.492 . . . . 0.0 111.557 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -90.4 158.04 17.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.087 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -132.82 161.58 33.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.055 0.931 . . . . 0.0 112.993 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -139.0 -26.59 0.84 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.476 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -156.24 146.89 21.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 6.5 m-20 -53.88 -37.16 63.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 119.118 0.872 . . . . 0.0 110.648 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -63.04 -17.77 62.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.969 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.1 mm-40 -75.62 -27.76 58.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.881 0.372 . . . . 0.0 110.367 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 tt -55.24 -41.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.382 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.59 1.83 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.1 ttm-85 55.65 47.38 20.77 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.25 0.548 . . . . 0.0 110.819 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -138.23 96.03 3.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -86.22 80.49 8.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.813 0.816 . . . . 0.0 110.035 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -89.21 112.22 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.482 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 57.49 39.59 27.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.817 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 66.78 21.3 10.53 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.094 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -138.53 168.23 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.5 m -87.68 154.89 20.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.218 0.532 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.8 m -160.69 154.39 22.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' HG ' HG23 ' A' ' 13' ' ' ILE . 41.0 mt -83.91 -165.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.26 42.01 0.25 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.996 0.427 . . . . 0.0 111.082 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' H ' ' C ' ' A' ' 35' ' ' LEU . 4.5 m -78.28 43.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.458 0.647 . . . . 0.0 111.262 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.8 23.86 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.726 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -157.98 -41.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.512 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 33.0 mt-10 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttp . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.508 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -66.59 -58.24 10.45 Favored Pre-proline 0 CA--C 1.534 0.359 0 O-C-N 123.021 0.201 . . . . 0.0 110.614 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 4.3 Cg_exo -81.19 138.71 11.37 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.064 1.842 . . . . 0.0 111.099 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.72 76.59 1.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.318 0.58 . . . . 0.0 110.708 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -77.75 150.68 34.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -115.18 170.91 8.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.457 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.34 69.33 2.28 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.023 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.512 ' HB ' HD21 ' A' ' 10' ' ' LEU . 12.7 m -73.28 164.41 3.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.809 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -81.93 12.09 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.558 0.694 . . . . 0.0 111.839 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD21 ' HB ' ' A' ' 8' ' ' VAL . 2.2 pt? -138.78 -155.01 0.56 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.368 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.645 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -91.45 121.2 67.81 Favored Pre-proline 0 C--N 1.307 -1.245 0 CA-C-O 120.786 0.326 . . . . 0.0 111.045 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.45 157.54 16.8 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.835 2.357 . . . . 0.0 111.924 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 tt -50.4 -49.11 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.93 44.13 2.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.218 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.28 176.48 9.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.816 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -74.36 162.62 28.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.994 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 38.7 t -131.0 161.75 31.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.784 0.802 . . . . 0.0 112.726 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 58.9 mtm180 -124.41 -34.73 2.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.635 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -161.66 146.96 13.47 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 1.9 m-20 -51.66 -40.07 59.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.955 0.343 . . . . 0.0 111.296 -178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.57 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 61.3 p -56.77 -36.54 69.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.204 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.43 -30.0 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.269 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.2 m -84.47 134.6 34.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -178.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 10' ' ' LEU . 6.5 tt -56.16 -34.13 38.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.762 HG23 ' HG ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -81.3 -14.22 57.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.324 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 60.93 30.29 19.53 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 111.034 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 34' ' ' SER . 11.1 tp -130.36 95.11 3.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.033 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.4 65.67 6.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 HH11 HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.59 134.61 41.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -177.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HZ1' ' CD ' ' A' ' 40' ' ' GLU . 27.6 mtpp 61.59 29.84 18.42 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.407 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 65.72 20.4 11.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.528 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -129.45 167.5 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 64.1 m -90.52 11.46 21.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.39 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.474 ' O ' HD23 ' A' ' 27' ' ' LEU . 14.4 m -51.57 145.42 8.99 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.251 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.762 ' HG ' HG23 ' A' ' 25' ' ' THR . 1.5 mt -81.3 -164.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.709 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.33 55.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.091 0.472 . . . . 0.0 111.038 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 m -111.94 22.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 110.101 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.66 142.83 45.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.792 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -103.66 45.87 0.94 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.108 0.48 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' CD ' ' HZ1' ' A' ' 30' ' ' LYS . 35.3 mt-10 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.739 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -67.85 132.69 92.3 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 8.2 Cg_exo -72.69 134.95 22.97 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.824 2.349 . . . . 0.0 111.731 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -102.91 70.32 1.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.241 0.543 . . . . 0.0 110.13 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -103.57 13.98 32.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.618 0.723 . . . . 0.0 109.95 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -115.2 52.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.021 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 109.4 0.39 Allowed Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.62 121.78 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.622 0.725 . . . . 0.0 111.439 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -165.24 -126.41 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.741 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.18 -151.24 0.08 Allowed 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -71.81 121.76 85.4 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 25.4 Cg_exo -63.65 -178.72 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.188 2.592 . . . . 0.0 113.071 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.5 mm -55.0 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.178 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.81 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.861 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.14 170.48 9.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.13 0.491 . . . . 0.0 111.608 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 m -86.05 161.8 18.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.446 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.1 t -138.05 160.47 39.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -31.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.394 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 15.3 t70 -156.29 156.09 33.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 63.5 m-20 -53.37 -41.85 66.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 118.427 0.558 . . . . 0.0 111.333 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -64.04 -16.28 61.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.775 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.5 mm-40 -76.54 -27.62 56.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 110.123 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.7 m -97.61 145.36 26.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 tt -58.05 -35.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.009 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -84.93 -3.1 58.59 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.35 39.35 30.13 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.246 0.545 . . . . 0.0 110.495 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 tp -138.53 95.77 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.749 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.14 114.22 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.016 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.53 HH22 ' HB2' ' A' ' 40' ' ' GLU . 17.0 ttt-85 -132.6 132.05 42.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.741 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' C ' ' A' ' 29' ' ' ARG . 21.3 pttt 48.24 38.39 10.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.994 0.918 . . . . 0.0 111.929 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 65.46 24.61 11.91 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.227 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -140.77 170.54 15.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -84.27 154.86 22.72 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.5 m -154.36 162.49 41.13 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.107 0.48 . . . . 0.0 110.878 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -114.91 -161.26 0.77 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.28 44.79 0.35 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.325 0.583 . . . . 0.0 110.621 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 35' ' ' LEU . 18.5 m -116.75 20.89 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.97 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.43 72.67 3.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.835 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -106.87 30.73 5.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.961 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HB2' HH22 ' A' ' 29' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.61 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.594 ' HB3' HD22 ' A' ' 35' ' ' LEU . 28.4 ttt . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.514 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -126.86 -58.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 81.6 Cg_endo -81.65 52.54 4.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.036 1.824 . . . . 0.0 112.024 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.85 -47.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.909 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -83.07 41.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -129.33 7.56 5.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.313 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.41 45.83 0.62 Allowed Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -122.63 159.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.978 0.418 . . . . 0.0 111.276 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.64 9.51 21.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.499 0.666 . . . . 0.0 111.41 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.98 -169.37 1.51 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.93 125.22 59.64 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.515 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 23.3 Cg_exo -65.39 162.83 31.94 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.574 2.183 . . . . 0.0 111.017 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.98 -37.04 77.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.31 0.576 . . . . 0.0 110.48 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.1 47.28 3.79 Favored Glycine 0 C--N 1.317 -0.51 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.2 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.69 -179.61 7.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 111.663 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -81.23 162.59 23.49 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 49.0 t -125.7 163.72 22.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.942 0.877 . . . . 0.0 112.409 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.747 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 3.6 tpm_? -133.95 -34.25 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.408 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.5 t70 -161.36 158.44 26.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.659 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 37.3 m-20 -54.97 -42.14 72.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.911 0.778 . . . . 0.0 110.087 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -25.64 66.31 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.312 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.747 ' HG3' ' HB3' ' A' ' 18' ' ' ARG . 16.2 mm-40 -67.79 -35.31 78.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.66 141.32 31.59 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.514 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 tt -53.07 -40.64 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.672 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.44 8.86 38.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 52.43 54.27 10.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.463 0.649 . . . . 0.0 110.968 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.94 93.63 2.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.503 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.24 99.9 12.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.556 HH22 ' HG2' ' A' ' 40' ' ' GLU . 18.9 mtp-105 -116.73 119.94 37.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.9 0.381 . . . . 0.0 111.86 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.2 mttt 58.19 38.57 26.29 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.198 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 9.0 tpt180 72.92 3.65 4.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.865 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -122.97 169.52 11.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.4 m -88.85 164.86 15.01 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 m -154.47 162.99 40.86 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.669 ' HG ' ' H ' ' A' ' 36' ' ' SER . 12.9 tp -80.71 -156.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.669 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -72.84 54.52 0.37 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.306 0.574 . . . . 0.0 110.582 178.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.6 75.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.989 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.69 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -99.93 -176.09 3.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.556 ' HG2' HH22 ' A' ' 29' ' ' ARG . 2.7 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.448 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.516 0.198 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.49 126.7 92.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.095 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.59 83.12 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.25 2.633 . . . . 0.0 112.036 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -83.26 62.35 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.411 0.624 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.53 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -90.55 163.96 14.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.838 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.515 ' H ' HD11 ' A' ' 24' ' ' ILE . 68.4 mtt180 -86.53 9.86 17.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.2 -62.74 4.22 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.64 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.93 137.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.181 0.515 . . . . 0.0 111.46 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 p 179.65 -41.55 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.53 1.157 . . . . 0.0 109.302 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 24' ' ' ILE . 53.0 mt -141.14 -155.78 0.62 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.102 -1.863 . . . . 0.0 108.509 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -71.64 127.81 90.51 Favored Pre-proline 0 C--N 1.313 -1.02 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 31.2 Cg_exo -59.67 166.54 8.01 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.065 2.51 . . . . 0.0 113.434 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.4 mt -55.43 -67.58 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.806 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.55 42.83 1.29 Allowed Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.093 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.19 -179.53 4.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 111.378 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 m -83.99 158.95 21.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.108 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.5 t -126.22 159.34 33.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.57 0.7 . . . . 0.0 112.079 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.691 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 64.2 mtm180 -131.75 -27.95 1.85 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.511 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.1 t70 -165.89 157.09 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.5 m-20 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.301 0.955 . . . . 0.0 110.432 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -62.6 -22.73 66.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.985 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.691 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 8.0 mm-40 -73.45 -31.5 63.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.94 139.26 31.96 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 5' ' ' TRP . 9.2 tt -55.82 -34.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.617 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -0.51 57.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.1 tpp180 59.08 40.33 22.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.068 0.461 . . . . 0.0 110.791 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 38' ' ' ALA . 2.3 tt -137.65 94.49 2.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.026 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -91.26 108.34 19.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.623 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.553 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 49.1 ttt180 -131.95 133.62 44.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.517 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 56.64 31.02 18.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.836 0.855 . . . . 0.0 112.01 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 68.22 20.3 8.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 mpt_? -140.34 165.79 26.47 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 99.4 m -83.65 162.08 20.88 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.442 ' HB3' HG22 ' A' ' 37' ' ' VAL . 67.2 m -162.33 166.5 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' O ' HD11 ' A' ' 27' ' ' LEU . 8.4 tp -86.96 -147.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.474 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -71.67 65.02 0.47 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.019 0.438 . . . . 0.0 110.642 178.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -144.27 83.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.327 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -117.13 -27.73 6.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.615 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.05 -25.77 13.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.524 0.678 . . . . 0.0 109.288 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 pm0 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.183 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -56.61 26.94 Favored Pre-proline 0 CA--C 1.537 0.459 0 O-C-N 123.291 0.37 . . . . 0.0 111.145 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.718 ' HB2' ' HD1' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -72.57 126.97 11.97 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.504 1.469 . . . . 0.0 111.644 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.0 67.66 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.367 0.603 . . . . 0.0 110.775 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.718 ' HD1' ' HB2' ' A' ' 3' ' ' PRO . 14.5 m95 -74.41 143.83 44.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.346 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -75.64 155.25 36.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.48 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.51 75.18 2.0 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.497 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 24' ' ' ILE . 6.0 m -61.04 166.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.972 -0.614 . . . . 0.0 111.843 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -77.74 18.89 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.67 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 24' ' ' ILE . 2.2 pt? -147.55 -155.74 0.65 Allowed 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.99 117.3 67.81 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 5.1 Cg_exo -75.22 -163.61 0.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.131 2.554 . . . . 0.0 111.222 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HD12 ' HG ' ' A' ' 35' ' ' LEU . 1.6 tt -65.04 -55.19 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.87 44.87 2.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.215 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.489 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -123.16 173.77 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 112.271 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 3.6 m -90.17 163.22 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.854 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.1 t -129.31 157.4 41.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.19 0.995 . . . . 0.0 113.67 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 7.1 tmm_? -130.29 -34.52 1.62 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.583 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.32 151.98 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.2 m-20 -54.73 -36.97 65.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 119.009 0.822 . . . . 0.0 110.746 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.03 -21.57 66.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.2 mm-40 -71.74 -28.57 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.095 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.81 135.92 38.09 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.309 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.769 HD11 HG12 ' A' ' 8' ' ' VAL . 10.5 tt -52.89 -38.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.602 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -3.39 58.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 46.2 ttt85 52.78 58.48 5.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.395 0.617 . . . . 0.0 111.269 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -148.61 89.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.0 79.93 7.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.149 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -110.51 134.86 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.519 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm 63.45 28.05 15.31 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.712 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 5.3 tpt180 63.31 20.71 12.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.084 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 40.8 mtp180 -140.33 167.75 21.42 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 56.5 m -79.01 157.77 28.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.043 0.449 . . . . 0.0 110.426 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m -156.48 168.92 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 27' ' ' LEU . 88.5 mt -77.31 -161.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -74.65 37.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.116 0.484 . . . . 0.0 111.077 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' H ' ' C ' ' A' ' 35' ' ' LEU . 2.2 m -89.39 64.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.816 0.817 . . . . 0.0 109.894 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 -20.06 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.756 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 2.54 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 110.509 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.137 -179.197 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.14 128.95 91.14 Favored Pre-proline 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.364 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 10.6 Cg_exo -72.98 85.69 1.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.043 2.495 . . . . 0.0 111.323 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -77.48 -50.32 12.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' HB2' ' HB3' ' A' ' 12' ' ' PRO . 2.7 m-90 -80.2 119.72 23.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -139.88 -175.55 4.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.539 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.86 -46.62 0.7 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.67 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 HG12 HD12 ' A' ' 10' ' ' LEU . 2.3 p -149.2 155.44 8.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.25 97.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.183 0.516 . . . . 0.0 112.348 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' CD1' ' HB ' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -175.05 -156.79 0.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.577 ' NH2' ' HB2' ' A' ' 22' ' ' GLU . 8.8 ttp180 -90.16 131.59 38.37 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-O 120.562 0.22 . . . . 0.0 111.163 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HB3' ' HB2' ' A' ' 5' ' ' TRP . 17.1 Cg_exo -67.65 173.21 9.31 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.438 2.758 . . . . 0.0 113.281 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 3.8 mm -59.62 -59.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.884 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.28 35.27 0.79 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 114.508 0.563 . . . . 0.0 114.508 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.62 173.09 6.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.506 0.653 . . . . 0.0 111.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.796 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 4.6 m -78.15 -176.68 4.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.004 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . 41.1 t -159.42 164.38 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.877 0.846 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 mmt180 -132.66 -37.85 1.03 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.947 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.08 141.6 26.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.606 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.32 -34.95 62.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.966 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.553 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.9 m -59.67 -23.94 63.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.577 ' HB2' ' NH2' ' A' ' 11' ' ' ARG . 2.0 mt-10 -87.93 -12.18 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.5 m -97.95 138.34 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 111.428 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' HB ' ' CD1' ' A' ' 10' ' ' LEU . 8.1 tt -53.25 -37.81 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.702 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -14.53 59.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' NE ' ' HA ' ' A' ' 21' ' ' SER . 4.9 tpt180 61.38 28.38 17.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.261 0.553 . . . . 0.0 110.312 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -135.04 105.66 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.329 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.2 65.73 6.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.75 0.786 . . . . 0.0 109.444 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -83.18 127.67 33.82 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.826 -178.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 58.88 33.25 22.93 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.463 0.649 . . . . 0.0 109.872 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 31' ' ' ARG . 6.1 tpp180 60.78 29.64 19.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.669 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.796 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 9.6 mtt180 -135.94 174.35 10.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.905 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 72.6 m -87.74 17.91 4.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.404 0.621 . . . . 0.0 111.585 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.8 137.97 9.1 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.753 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' HG ' HG11 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -82.51 -165.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.307 179.591 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.83 54.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.113 0.482 . . . . 0.0 111.711 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG11 ' HG ' ' A' ' 35' ' ' LEU . 1.9 m -93.85 40.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.436 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 172.71 11.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.09 54.6 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.444 -178.75 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.464 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -78.25 120.27 80.49 Favored Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 123.375 0.422 . . . . 0.0 110.982 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 5.4 Cg_exo -77.38 75.29 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.951 2.434 . . . . 0.0 111.614 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -57.62 -33.03 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.479 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -72.9 -4.45 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.514 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -122.88 9.8 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 110.381 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.54 46.75 1.49 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 10' ' ' LEU . 9.9 p -145.73 164.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -94.14 19.53 9.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.404 0.621 . . . . 0.0 110.761 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' H ' HG13 ' A' ' 8' ' ' VAL . 96.3 mt -120.95 -165.52 1.23 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.686 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -90.89 140.76 26.27 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.102 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.81 159.59 38.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.668 2.246 . . . . 0.0 111.327 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pt -55.57 -38.51 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 111.263 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.43 40.42 2.4 Favored Glycine 0 C--N 1.317 -0.5 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.196 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.53 -178.03 5.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.274 0.537 . . . . 0.0 111.965 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -87.05 161.02 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.888 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 42.1 t -135.57 165.25 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.628 0.728 . . . . 0.0 112.374 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 33.1 mtp-105 -134.85 -31.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.094 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -151.76 143.86 23.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.1 m-20 -53.46 -38.99 64.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.094 0.406 . . . . 0.0 111.348 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -64.3 -17.92 64.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.507 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.62 -13.91 57.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.683 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -103.01 144.9 30.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 111.174 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.58 ' HB ' HG12 ' A' ' 8' ' ' VAL . 8.6 tt -57.15 -37.14 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.134 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.677 HG23 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -82.79 -9.35 59.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.186 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.708 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 54.69 39.41 31.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.269 0.557 . . . . 0.0 110.539 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.765 ' HG ' ' HG2' ' A' ' 29' ' ' ARG . 18.8 tp -135.24 97.68 3.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.388 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.79 75.8 8.86 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.76 0.79 . . . . 0.0 110.251 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.765 ' HG2' ' HG ' ' A' ' 27' ' ' LEU . 8.7 mmm180 -93.12 122.5 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.208 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.59 ' HZ1' ' CD ' ' A' ' 40' ' ' GLU . 98.7 mttt 58.52 37.67 25.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 63.06 25.32 14.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -134.28 168.81 18.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.653 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.61 13.93 6.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.298 0.57 . . . . 0.0 111.52 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.19 138.63 2.15 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.859 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.677 ' HG ' HG23 ' A' ' 25' ' ' THR . 1.0 OUTLIER -80.72 -158.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.553 178.48 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.69 42.09 0.1 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.141 0.496 . . . . 0.0 111.372 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.436 ' H ' ' C ' ' A' ' 35' ' ' LEU . 11.5 m -132.02 19.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.42 56.23 0.76 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.236 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.477 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 33.7 tt0 -150.75 143.37 24.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.857 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' CD ' ' HZ1' ' A' ' 30' ' ' LYS . 1.7 pm0 . . . . . 0 C--O 1.254 1.311 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.86 114.27 60.12 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 123.259 0.349 . . . . 0.0 110.555 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.433 ' HB2' HD21 ' A' ' 35' ' ' LEU . 61.3 Cg_endo -78.46 147.08 22.34 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.384 2.056 . . . . 0.0 112.233 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.21 72.8 0.81 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.401 ' CZ3' ' HG2' ' A' ' 3' ' ' PRO . 24.8 p90 -86.17 21.49 2.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.116 0.484 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -138.61 119.41 14.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.293 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 -96.2 0.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.782 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 10' ' ' LEU . 2.1 p -72.36 148.84 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.772 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -89.36 110.58 21.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.474 . . . . 0.0 111.881 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.0 pt? -167.22 -148.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.73 117.35 66.84 Favored Pre-proline 0 C--N 1.314 -0.945 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.584 -178.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 8.0 Cg_exo -73.42 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.236 2.624 . . . . 0.0 111.916 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.599 HD13 HD11 ' A' ' 35' ' ' LEU . 2.2 mt -63.21 -69.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 45.75 1.15 Allowed Glycine 0 C--N 1.316 -0.566 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.361 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -117.82 169.39 9.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.594 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 m -87.58 155.03 20.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.203 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -124.92 160.28 29.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.054 0.931 . . . . 0.0 113.15 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -134.9 -35.14 0.87 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.809 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -154.11 152.57 30.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.2 m-20 -52.91 -38.46 61.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.867 0.758 . . . . 0.0 111.216 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.15 -20.36 65.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.1 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.4 mm-40 -70.47 -29.51 66.08 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.097 0.475 . . . . 0.0 110.055 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.8 139.6 33.43 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.344 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CB ' HD22 ' A' ' 10' ' ' LEU . 20.1 tt -51.89 -42.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.17 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.88 0.25 40.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 55.14 46.18 24.47 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 -179.682 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.3 96.18 3.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.828 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.8 t -89.38 101.6 14.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.081 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 14.6 ttt180 -118.26 124.73 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.493 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER 49.58 36.95 11.38 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.069 0.947 . . . . 0.0 112.295 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 70.24 21.59 5.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.575 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -137.36 170.68 15.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 61.6 m -90.27 155.7 18.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.042 0.448 . . . . 0.0 109.959 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.7 m -154.96 164.47 38.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.231 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD11 HD13 ' A' ' 13' ' ' ILE . 68.8 mt -101.2 -158.93 0.7 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -73.04 69.06 0.97 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.0 109.88 178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.89 89.59 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.165 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.71 55.86 0.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.852 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -133.6 117.78 17.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 5.8 tp10 . . . . . 0 C--O 1.257 1.448 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.043 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 13.1 Cg_exo -68.76 172.75 11.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.782 2.321 . . . . 0.0 111.679 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 13' ' ' ILE . 15.3 mm -54.03 -58.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.461 . . . . 0.0 111.601 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.13 45.84 1.47 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 172.06 13.54 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.398 0.618 . . . . 0.0 111.59 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -86.16 157.43 20.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.26 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.6 t -124.87 163.49 22.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.45 0.643 . . . . 0.0 111.954 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.724 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 48.6 mtt180 -132.53 -31.81 1.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.193 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 6.8 t70 -158.84 153.78 25.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 8.8 m-20 -52.21 -38.82 59.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 119.301 0.955 . . . . 0.0 111.102 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -61.23 -24.06 66.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.629 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.724 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 15.6 mm-40 -69.09 -33.16 73.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.2 m -85.69 142.89 28.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.35 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 tt -55.7 -37.97 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.008 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.42 4.48 48.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 55.87 46.29 22.43 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.097 0.475 . . . . 0.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.79 101.81 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.6 t -90.57 85.96 6.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.798 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -79.72 93.71 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.157 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mttt 53.68 49.78 18.55 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.576 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 17' ' ' CYS . 6.2 ttm180 70.56 17.03 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.933 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -130.69 157.96 41.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.316 -0.882 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.789 179.829 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.83 175.55 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.751 2.301 . . . . 0.0 112.152 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -55.26 -49.18 74.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.893 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.02 50.81 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.418 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.2 163.78 31.95 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 111.706 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.43 157.74 28.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.769 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.4 t -130.72 159.03 38.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 112.522 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -143.66 -2.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.335 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -177.89 143.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.594 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.0 m-20 -56.02 -35.77 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.227 0.467 . . . . 0.0 110.641 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -59.7 -26.52 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.477 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 72.0 mm-40 -71.1 -34.65 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -80.62 139.91 36.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.124 0.488 . . . . 0.0 110.743 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 tt -52.45 -40.25 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.546 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.74 10.44 40.05 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 53.2 ttm-85 52.44 59.58 4.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.474 0.654 . . . . 0.0 110.315 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tp -147.73 87.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.032 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -87.28 95.04 9.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.522 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -107.59 117.91 35.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.914 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 55.83 42.3 29.16 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.437 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 64.96 18.35 11.46 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.053 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -131.64 161.74 32.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 121.426 0.631 . . . . 0.0 110.686 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.985 0.422 . . . . 0.0 112.021 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.56 -174.06 2.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.619 2.212 . . . . 0.0 110.841 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' H ' HG12 ' A' ' 13' ' ' ILE . 9.2 mm -60.57 -58.22 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.381 . . . . 0.0 111.921 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.64 46.25 1.66 Allowed Glycine 0 C--N 1.318 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.342 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.38 178.13 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.19 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 18.9 m -89.51 167.81 12.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.664 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 46.5 t -138.82 163.94 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.73 0.776 . . . . 0.0 112.672 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 60.3 mtt180 -130.52 -35.1 1.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.194 -1.367 . . . . 0.0 108.608 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.57 154.87 32.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 46.3 m-20 -50.05 -42.44 49.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.35 0.523 . . . . 0.0 111.613 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -62.85 -19.75 64.43 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.499 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.8 mm-40 -74.19 -25.63 59.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.784 0.326 . . . . 0.0 110.217 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 73.6 m -97.49 139.5 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.951 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 tt -50.77 -38.39 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.763 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -2.3 51.2 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.68 41.54 28.2 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.269 0.556 . . . . 0.0 110.325 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -141.28 102.66 4.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.74 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.3 t -90.52 85.22 6.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 110.876 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -83.66 106.9 15.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.921 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 mttp 54.95 43.07 30.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.785 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 41.9 ttp85 66.65 22.78 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.105 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -135.8 163.7 29.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.316 -0.856 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.034 179.462 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 22.2 Cg_exo -66.26 167.27 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.797 2.331 . . . . 0.0 111.906 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -54.62 -49.23 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.6 47.51 3.49 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.15 171.67 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.257 0.551 . . . . 0.0 111.895 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -84.26 161.87 20.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.751 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 42.2 t -133.76 163.39 29.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.871 0.843 . . . . 0.0 112.053 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -129.01 -36.2 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.551 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.9 t70 -152.65 152.17 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 m-20 -52.11 -40.32 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.426 0.557 . . . . 0.0 111.384 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -61.54 -20.91 63.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.811 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.5 mm-40 -72.09 -32.31 66.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.194 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 95.0 m -88.06 146.53 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.8 tt -54.47 -38.79 42.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.466 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -1.98 58.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 14.0 ttp180 57.13 50.86 11.16 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.344 0.593 . . . . 0.0 110.552 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -147.21 97.93 2.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.625 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.2 t -89.47 75.61 7.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.017 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 35.2 ttp85 -87.77 128.08 35.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.27 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 57.4 28.58 15.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.357 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 61.3 30.71 19.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.888 0.851 . . . . 0.0 109.894 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 59.0 mtt-85 -140.45 174.16 10.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.298 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 71.7 m . . . . . 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.48 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -71.5 174.95 10.15 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.431 2.087 . . . . 0.0 111.48 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.37 -40.05 82.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.02 47.89 3.93 Favored Glycine 0 C--N 1.318 -0.471 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.253 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.68 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.385 0.612 . . . . 0.0 112.345 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -89.9 171.61 9.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.877 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.448 ' HB3' ' C ' ' A' ' 31' ' ' ARG . 45.2 t -138.15 162.19 34.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.72 0.772 . . . . 0.0 112.425 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -137.18 -25.53 1.05 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.664 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -157.71 149.73 22.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.73 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 m-20 -52.56 -42.06 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.269 0.94 . . . . 0.0 110.566 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.559 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -62.26 -16.56 54.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.259 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.7 -35.02 74.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -87.13 147.45 25.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.287 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 tt -55.13 -37.46 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -2.87 44.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.514 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.73 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.18 44.53 24.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 109.97 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.5 tp -147.31 112.69 5.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.13 102.01 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.394 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 tpt85 -91.25 95.17 9.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.4 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt 54.85 44.88 27.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 25.8 ttt180 69.61 20.3 7.07 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.461 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -138.04 166.51 23.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.318 -0.786 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.151 179.077 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.63 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 27.4 Cg_exo -62.12 158.48 39.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.102 2.535 . . . . 0.0 112.846 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tp -53.0 -52.35 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.44 31.7 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.418 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.99 178.77 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.15 0.475 . . . . 0.0 111.804 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -82.79 166.38 19.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.956 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 34.5 t -143.23 163.54 32.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.647 0.737 . . . . 0.0 112.636 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 54.1 mtm180 -133.33 -28.47 1.48 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.391 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -154.75 141.86 19.36 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.2 m-20 -53.97 -36.32 62.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.477 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 m -61.66 -26.41 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.27 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 11.6 mt-10 -76.22 -20.56 57.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.2 m -94.56 140.94 29.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.419 0.628 . . . . 0.0 111.996 -178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 tt -58.93 -36.56 62.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.194 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -13.34 59.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER 59.11 33.55 22.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.152 -178.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' ARG . 2.1 tt -138.62 101.16 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.6 t -90.52 76.96 6.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.616 0.722 . . . . 0.0 110.143 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 11.0 tpt180 -89.48 123.32 33.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.667 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 17.2 ptmt 48.45 42.85 19.19 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.138 0.975 . . . . 0.0 111.986 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 67.32 29.47 7.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.555 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -136.1 168.0 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 121.255 0.55 . . . . 0.0 111.898 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.834 ' HD2' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.968 0.413 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.33 173.49 14.23 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.683 2.255 . . . . 0.0 111.141 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 tt -56.6 -49.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.59 50.61 4.39 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.39 179.35 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.746 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.8 m -88.83 167.88 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.79 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 9.7 t -161.68 161.3 29.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 112.33 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -132.13 -26.29 1.93 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.122 177.588 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.6 t70 -141.96 138.84 32.23 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 5.3 m-20 -53.82 -33.65 56.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -60.86 -18.74 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.456 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.834 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 28.5 mt-10 -78.66 -33.47 47.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.412 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.1 m -86.04 136.55 33.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.216 0.531 . . . . 0.0 111.605 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.9 tt -55.29 -35.3 36.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.961 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.31 -5.4 59.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.426 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 4.2 tpt180 57.89 36.67 26.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.024 0.44 . . . . 0.0 110.62 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.758 HD22 ' HD3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -132.66 92.79 3.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.266 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -91.26 125.0 35.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.683 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.758 ' HD3' HD22 ' A' ' 27' ' ' LEU . 7.1 mtp85 -144.62 123.63 12.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 56.28 43.5 26.35 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.135 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 17' ' ' CYS . 22.6 tpt85 67.84 15.78 9.62 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 111.488 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 4.8 mtt85 -137.0 170.43 16.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 95.3 m . . . . . 0 C--N 1.32 -0.717 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.642 0.258 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.9 Cg_exo -66.6 172.18 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.889 2.393 . . . . 0.0 111.986 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 tt -56.95 -46.94 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.89 43.03 2.76 Favored Glycine 0 C--N 1.316 -0.528 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.965 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.29 173.16 11.55 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.154 0.502 . . . . 0.0 111.981 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.6 167.25 15.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.583 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.23 160.7 41.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.465 0.65 . . . . 0.0 112.218 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -134.7 -26.57 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.705 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -154.07 146.01 23.55 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 12.1 m-20 -53.16 -37.85 62.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.909 0.322 . . . . 0.0 111.746 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -60.27 -20.35 58.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.95 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.9 mt-10 -77.2 -32.65 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.793 0.33 . . . . 0.0 110.115 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.2 m -79.16 139.67 37.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 tt -53.27 -38.65 31.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.24 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.63 12.18 36.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.628 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 50.8 54.81 10.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.172 0.51 . . . . 0.0 111.878 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -144.82 94.36 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -90.04 90.68 8.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.345 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -100.25 117.99 35.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 30' ' ' LYS . 20.1 ptmt 49.64 47.43 22.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.346 1.058 . . . . 0.0 112.787 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 67.3 20.42 10.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.781 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.62 162.27 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.066 0.46 . . . . 0.0 109.951 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 54.0 m . . . . . 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD3' ' HB3' ' A' ' 22' ' ' GLU . 24.5 mtp85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.33 162.64 33.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.878 2.385 . . . . 0.0 112.345 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.2 mm -50.93 -58.56 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.66 41.62 0.68 Allowed Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.615 -0.721 . . . . 0.0 113.767 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.26 177.15 7.98 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.29 0.566 . . . . 0.0 111.604 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 p -81.6 169.05 17.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.395 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 44.3 t -148.7 162.76 39.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.466 0.65 . . . . 0.0 111.8 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 89.5 mtm180 -132.95 -29.49 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.505 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -155.17 145.12 21.6 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 10.1 m-20 -52.83 -34.3 53.32 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -59.84 -27.37 66.59 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 9.8 mt-10 -74.18 -26.46 60.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.03 135.87 34.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.407 0.622 . . . . 0.0 111.441 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.21 -34.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.554 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 27' ' ' LEU . 11.3 t -107.93 10.06 28.52 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 49.4 ttm-85 53.25 57.62 6.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.567 0.699 . . . . 0.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -143.57 84.19 1.79 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.64 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.46 70.35 10.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.048 0.927 . . . . 0.0 109.191 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB2' HD22 ' A' ' 27' ' ' LEU . 40.3 ttm-85 -83.74 117.14 23.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.685 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 54.7 44.26 28.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.338 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 66.2 21.25 11.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.829 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -135.96 170.93 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.176 0.512 . . . . 0.0 112.116 -178.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.758 0.313 . . . . 0.0 110.615 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.62 165.82 26.14 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.67 2.247 . . . . 0.0 111.617 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 tt -58.81 -49.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.84 0.353 . . . . 0.0 111.514 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.07 47.52 3.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 169.1 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.585 ' HA ' ' HG3' ' A' ' 32' ' ' ARG . 1.5 m -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.108 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -164.59 165.41 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.807 0.813 . . . . 0.0 112.358 -177.559 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.515 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 4.0 tpt85 -124.9 -29.6 3.35 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.47 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -137.72 139.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.719 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.6 m-20 -52.09 -37.78 55.08 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -54.34 -23.8 16.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.449 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 35.4 mt-10 -80.3 -35.11 36.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 77.3 m -77.28 140.15 39.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.544 0.687 . . . . 0.0 112.22 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 tt -56.67 -37.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.267 -1.333 . . . . 0.0 111.784 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.24 -2.81 58.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.934 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 53.77 48.15 22.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.979 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -151.34 95.5 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.709 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.87 134.15 35.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.055 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -148.66 134.88 19.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.6 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 57.36 34.17 24.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.495 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 67.24 26.21 8.69 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.242 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -145.1 172.46 13.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.316 -0.878 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.821 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.68 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.908 0.385 . . . . 0.0 111.229 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 6.1 Cg_exo -74.33 -175.75 2.38 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.968 2.445 . . . . 0.0 111.477 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -60.3 -48.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.73 49.32 3.88 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.673 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.11 168.36 20.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.189 0.519 . . . . 0.0 111.862 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -80.53 168.71 18.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.391 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.8 t -141.13 161.21 38.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.889 0.852 . . . . 0.0 112.79 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 2.9 tpm_? -129.5 -33.93 1.84 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.809 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.3 t70 -161.73 157.99 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 34.5 m-20 -53.74 -34.15 58.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.746 0.703 . . . . 0.0 111.194 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -58.0 -24.01 56.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.423 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 12.8 mm-40 -74.83 -32.56 61.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.6 m -88.98 136.37 33.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.407 0.622 . . . . 0.0 111.445 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.91 -37.0 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.505 -1.225 . . . . 0.0 113.002 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.98 7.19 47.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.4 OUTLIER 54.62 58.45 4.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.968 0.89 . . . . 0.0 109.221 -178.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tp -145.88 83.04 1.63 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.536 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.98 104.84 17.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.878 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -119.32 120.69 37.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 57.47 40.47 27.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.851 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 66.81 19.29 10.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.427 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -134.92 168.75 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m . . . . . 0 C--N 1.31 -1.12 0 CA-C-O 121.22 0.533 . . . . 0.0 110.678 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 24.3 Cg_exo -64.34 -171.74 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.166 2.577 . . . . 0.0 113.253 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.3 mt -58.14 -72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.641 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 40.91 0.86 Allowed Glycine 0 C--N 1.318 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 113.489 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.94 171.56 7.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.134 0.492 . . . . 0.0 111.557 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -90.4 158.04 17.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.087 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -132.82 161.58 33.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.055 0.931 . . . . 0.0 112.993 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -139.0 -26.59 0.84 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.476 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . 9.2 t70 -156.24 146.89 21.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.652 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 6.5 m-20 -53.88 -37.16 63.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 119.118 0.872 . . . . 0.0 110.648 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -63.04 -17.77 62.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.969 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.1 mm-40 -75.62 -27.76 58.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.881 0.372 . . . . 0.0 110.367 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 tt -55.24 -41.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.382 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.59 1.83 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.1 ttm-85 55.65 47.38 20.77 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.25 0.548 . . . . 0.0 110.819 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -138.23 96.03 3.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -86.22 80.49 8.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.813 0.816 . . . . 0.0 110.035 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -89.21 112.22 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.482 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 57.49 39.59 27.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.817 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 66.78 21.3 10.53 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.094 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -138.53 168.23 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.5 m . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 121.218 0.532 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.653 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.786 0.326 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.45 157.54 16.8 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.835 2.357 . . . . 0.0 111.924 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 tt -50.4 -49.11 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.93 44.13 2.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.218 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.28 176.48 9.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.816 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -74.36 162.62 28.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.994 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 38.7 t -131.0 161.75 31.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.784 0.802 . . . . 0.0 112.726 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 58.9 mtm180 -124.41 -34.73 2.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.635 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -161.66 146.96 13.47 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 1.9 m-20 -51.66 -40.07 59.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.955 0.343 . . . . 0.0 111.296 -178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.6 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 61.3 p -56.77 -36.54 69.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.204 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.4 mt-10 -66.43 -30.0 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.269 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.2 m -84.47 134.6 34.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -178.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 tt -56.16 -34.13 38.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -14.22 57.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.324 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.6 ' HE ' ' HA ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 60.93 30.29 19.53 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 111.034 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' HH11 ' A' ' 29' ' ' ARG . 11.1 tp -130.36 95.11 3.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.033 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.4 65.67 6.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 HH11 ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.59 134.61 41.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -177.651 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.59 29.84 18.42 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.407 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 65.72 20.4 11.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.528 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -129.45 167.5 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 64.1 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.39 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 25.4 Cg_exo -63.65 -178.72 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.188 2.592 . . . . 0.0 113.071 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 ' H ' HG12 ' A' ' 13' ' ' ILE . 8.5 mm -55.0 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.178 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.81 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.861 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.14 170.48 9.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.13 0.491 . . . . 0.0 111.608 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 m -86.05 161.8 18.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.446 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.1 t -138.05 160.47 39.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -31.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.394 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.29 156.09 33.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 63.5 m-20 -53.37 -41.85 66.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 118.427 0.558 . . . . 0.0 111.333 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -64.04 -16.28 61.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.775 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.5 mm-40 -76.54 -27.62 56.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 110.123 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.7 m -97.61 145.36 26.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 tt -58.05 -35.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.009 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -84.93 -3.1 58.59 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.35 39.35 30.13 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.246 0.545 . . . . 0.0 110.495 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 tp -138.53 95.77 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.749 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -90.14 114.22 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.016 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 17.0 ttt-85 -132.6 132.05 42.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.741 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 29' ' ' ARG . 21.3 pttt 48.24 38.39 10.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.994 0.918 . . . . 0.0 111.929 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 65.46 24.61 11.91 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.227 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -140.77 170.54 15.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 79.1 m . . . . . 0 C--N 1.316 -0.869 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.551 0.215 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 23.3 Cg_exo -65.39 162.83 31.94 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.574 2.183 . . . . 0.0 111.017 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 pt -61.98 -37.04 77.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.31 0.576 . . . . 0.0 110.48 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.1 47.28 3.79 Favored Glycine 0 C--N 1.317 -0.51 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.2 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.69 -179.61 7.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 111.663 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -81.23 162.59 23.49 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 49.0 t -125.7 163.72 22.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.942 0.877 . . . . 0.0 112.409 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.725 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 3.6 tpm_? -133.95 -34.25 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.408 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.5 t70 -161.36 158.44 26.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.663 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 37.3 m-20 -54.97 -42.14 72.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.911 0.778 . . . . 0.0 110.087 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -25.64 66.31 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.312 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.725 ' HG3' ' HB3' ' A' ' 18' ' ' ARG . 16.2 mm-40 -67.79 -35.31 78.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.66 141.32 31.59 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.514 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 tt -53.07 -40.64 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.672 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.44 8.86 38.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 52.43 54.27 10.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.463 0.649 . . . . 0.0 110.968 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.94 93.63 2.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.503 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.24 99.9 12.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -116.73 119.94 37.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.9 0.381 . . . . 0.0 111.86 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.2 mttt 58.19 38.57 26.29 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.198 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 9.0 tpt180 72.92 3.65 4.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.865 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -122.97 169.52 11.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 66.4 m . . . . . 0 C--N 1.317 -0.847 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.67 166.54 8.01 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.065 2.51 . . . . 0.0 113.434 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.4 mt -55.43 -67.58 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.806 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.55 42.83 1.29 Allowed Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.093 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.19 -179.53 4.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 111.378 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 m -83.99 158.95 21.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.108 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.5 t -126.22 159.34 33.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.57 0.7 . . . . 0.0 112.079 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.703 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 64.2 mtm180 -131.75 -27.95 1.85 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.511 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.1 t70 -165.89 157.09 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.583 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.5 m-20 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.301 0.955 . . . . 0.0 110.432 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -62.6 -22.73 66.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.985 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 8.0 mm-40 -73.45 -31.5 63.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.94 139.26 31.96 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.82 -34.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.617 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -0.51 57.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.1 tpp180 59.08 40.33 22.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.068 0.461 . . . . 0.0 110.791 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tt -137.65 94.49 2.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.026 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -91.26 108.34 19.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.623 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 49.1 ttt180 -131.95 133.62 44.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.517 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 56.64 31.02 18.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.836 0.855 . . . . 0.0 112.01 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 68.22 20.3 8.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 mpt_? -140.34 165.79 26.47 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 99.4 m . . . . . 0 C--N 1.313 -0.993 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 5.1 Cg_exo -75.22 -163.61 0.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.131 2.554 . . . . 0.0 111.222 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tt -65.04 -55.19 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.87 44.87 2.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.215 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -123.16 173.77 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 112.271 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 3.6 m -90.17 163.22 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.854 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.1 t -129.31 157.4 41.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.19 0.995 . . . . 0.0 113.67 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 7.1 tmm_? -130.29 -34.52 1.62 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.583 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.32 151.98 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.2 m-20 -54.73 -36.97 65.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 119.009 0.822 . . . . 0.0 110.746 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.03 -21.57 66.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.2 mm-40 -71.74 -28.57 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.095 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.81 135.92 38.09 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.309 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.89 -38.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.602 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -3.39 58.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 46.2 ttt85 52.78 58.48 5.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.395 0.617 . . . . 0.0 111.269 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.61 89.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.0 79.93 7.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.149 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -110.51 134.86 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.519 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm 63.45 28.05 15.31 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.712 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 5.3 tpt180 63.31 20.71 12.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.084 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 40.8 mtp180 -140.33 167.75 21.42 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 56.5 m . . . . . 0 C--N 1.316 -0.854 0 CA-C-O 121.043 0.449 . . . . 0.0 110.426 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' NH2' ' HB2' ' A' ' 22' ' ' GLU . 8.8 ttp180 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.562 0.22 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 17.1 Cg_exo -67.65 173.21 9.31 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.438 2.758 . . . . 0.0 113.281 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 3.8 mm -59.62 -59.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.884 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.28 35.27 0.79 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 114.508 0.563 . . . . 0.0 114.508 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.62 173.09 6.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.506 0.653 . . . . 0.0 111.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.815 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 4.6 m -78.15 -176.68 4.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.004 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 41.1 t -159.42 164.38 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.877 0.846 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 mmt180 -132.66 -37.85 1.03 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.947 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.08 141.6 26.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.606 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.32 -34.95 62.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.966 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.549 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.9 m -59.67 -23.94 63.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' NH2' ' A' ' 11' ' ' ARG . 2.0 mt-10 -87.93 -12.18 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.5 m -97.95 138.34 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 111.428 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 tt -53.25 -37.81 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.702 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -14.53 59.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' ' 21' ' ' SER . 4.9 tpt180 61.38 28.38 17.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.261 0.553 . . . . 0.0 110.312 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -135.04 105.66 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.329 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.2 65.73 6.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.75 0.786 . . . . 0.0 109.444 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -83.18 127.67 33.82 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.826 -178.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 58.88 33.25 22.93 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.463 0.649 . . . . 0.0 109.872 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 31' ' ' ARG . 6.1 tpp180 60.78 29.64 19.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.669 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.815 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 9.6 mtt180 -135.94 174.35 10.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.905 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 72.6 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 121.404 0.621 . . . . 0.0 111.585 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.852 0.358 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.81 159.59 38.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.668 2.246 . . . . 0.0 111.327 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.441 ' H ' HG23 ' A' ' 13' ' ' ILE . 2.5 pt -55.57 -38.51 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 111.263 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.43 40.42 2.4 Favored Glycine 0 C--N 1.317 -0.5 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.196 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.53 -178.03 5.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.274 0.537 . . . . 0.0 111.965 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -87.05 161.02 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.888 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 42.1 t -135.57 165.25 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.628 0.728 . . . . 0.0 112.374 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 33.1 mtp-105 -134.85 -31.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.094 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -151.76 143.86 23.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.1 m-20 -53.46 -38.99 64.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.094 0.406 . . . . 0.0 111.348 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -64.3 -17.92 64.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.507 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.62 -13.91 57.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.683 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -103.01 144.9 30.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 111.174 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.6 tt -57.15 -37.14 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.134 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -9.35 59.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.186 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.708 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 54.69 39.41 31.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.269 0.557 . . . . 0.0 110.539 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.782 ' HG ' ' HG2' ' A' ' 29' ' ' ARG . 18.8 tp -135.24 97.68 3.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.388 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -87.79 75.8 8.86 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.76 0.79 . . . . 0.0 110.251 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.782 ' HG2' ' HG ' ' A' ' 27' ' ' LEU . 8.7 mmm180 -93.12 122.5 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.208 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 58.52 37.67 25.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 63.06 25.32 14.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -134.28 168.81 18.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.653 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.298 0.57 . . . . 0.0 111.52 -179.424 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.746 0.308 . . . . 0.0 111.584 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 8.0 Cg_exo -73.42 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.236 2.624 . . . . 0.0 111.916 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 2.2 mt -63.21 -69.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 45.75 1.15 Allowed Glycine 0 C--N 1.316 -0.566 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.361 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -117.82 169.39 9.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.594 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 m -87.58 155.03 20.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.203 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -124.92 160.28 29.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.054 0.931 . . . . 0.0 113.15 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -134.9 -35.14 0.87 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.809 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -154.11 152.57 30.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.574 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.2 m-20 -52.91 -38.46 61.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.867 0.758 . . . . 0.0 111.216 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.15 -20.36 65.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.1 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.4 mm-40 -70.47 -29.51 66.08 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.097 0.475 . . . . 0.0 110.055 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.8 139.6 33.43 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.344 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 tt -51.89 -42.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.17 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.88 0.25 40.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 55.14 46.18 24.47 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 -179.682 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.3 96.18 3.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.828 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.8 t -89.38 101.6 14.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.081 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 14.6 ttt180 -118.26 124.73 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.493 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER 49.58 36.95 11.38 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.069 0.947 . . . . 0.0 112.295 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 70.24 21.59 5.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.575 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -137.36 170.68 15.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 61.6 m . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 121.042 0.448 . . . . 0.0 109.959 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.407 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -154.82 -54.96 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.159 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 6.9 Cg_exo -74.62 75.82 3.41 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.363 2.042 . . . . 0.0 112.703 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.836 ' HA ' HD13 ' A' ' 24' ' ' ILE . 72.2 m-85 -71.81 -18.42 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.195 0.522 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.572 ' HE3' HG13 ' A' ' 13' ' ' ILE . 2.3 p90 -112.47 44.37 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.066 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 45.5 mmt-85 -133.75 -179.0 5.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.591 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.32 68.2 2.41 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.768 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG21 HD12 ' A' ' 24' ' ' ILE . 12.4 m -82.68 -177.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.777 0.322 . . . . 0.0 110.433 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.87 5.26 14.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 111.801 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' H ' HG23 ' A' ' 8' ' ' VAL . 71.5 mt -132.51 -165.76 1.65 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.847 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.86 123.75 63.99 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 13.1 Cg_exo -68.76 172.75 11.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.782 2.321 . . . . 0.0 111.679 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 34' ' ' SER . 15.3 mm -54.03 -58.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.461 . . . . 0.0 111.601 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.13 45.84 1.47 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 172.06 13.54 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.398 0.618 . . . . 0.0 111.59 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -86.16 157.43 20.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.26 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.6 t -124.87 163.49 22.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.45 0.643 . . . . 0.0 111.954 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.724 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 48.6 mtt180 -132.53 -31.81 1.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.193 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 6.8 t70 -158.84 153.78 25.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 8.8 m-20 -52.21 -38.82 59.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 119.301 0.955 . . . . 0.0 111.102 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -61.23 -24.06 66.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.629 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.724 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 15.6 mm-40 -69.09 -33.16 73.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.2 m -85.69 142.89 28.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.35 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 4' ' ' PHE . 8.4 tt -55.7 -37.97 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.008 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.42 4.48 48.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 55.87 46.29 22.43 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.097 0.475 . . . . 0.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 38' ' ' ALA . 4.1 tt -141.79 101.81 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.6 t -90.57 85.96 6.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.798 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 37' ' ' VAL . 29.6 ttt180 -79.72 93.71 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.157 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mttt 53.68 49.78 18.55 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.576 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 17' ' ' CYS . 6.2 ttm180 70.56 17.03 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.933 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -130.69 157.96 41.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m -91.05 158.9 16.41 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.803 ' HA ' HG23 ' A' ' 13' ' ' ILE . 10.6 p -177.92 172.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.889 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.93 -157.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.48 52.71 0.29 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.374 0.607 . . . . 0.0 110.49 178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 2.5 m -128.15 59.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.59 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.578 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -84.68 58.15 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.71 110.37 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.939 -1.029 . . . . 0.0 108.833 178.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HG2' ' H ' ' A' ' 2' ' ' THR . 28.6 ttm . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.518 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -57.19 -56.9 28.88 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.268 0.355 . . . . 0.0 110.853 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 59.3 Cg_endo -74.52 94.27 0.92 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.611 1.541 . . . . 0.0 110.68 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.521 ' HE2' HD22 ' A' ' 35' ' ' LEU . 39.3 t80 -54.58 -37.21 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.2 p90 -102.28 10.04 39.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 6' ' ' ARG . 46.8 mmt-85 -150.06 33.1 0.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 111.469 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.65 49.69 0.39 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.325 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.536 HG11 HD12 ' A' ' 24' ' ' ILE . 4.2 m -140.89 156.9 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.69 8.47 22.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.61 0.719 . . . . 0.0 111.369 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.97 -172.31 2.19 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.382 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.61 119.67 69.01 Favored Pre-proline 0 C--N 1.306 -1.306 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.947 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.83 175.55 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.751 2.301 . . . . 0.0 112.152 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 ' HG ' ' A' ' 35' ' ' LEU . 2.8 tt -55.26 -49.18 74.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.893 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.02 50.81 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.418 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.2 163.78 31.95 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 111.706 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.43 157.74 28.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.769 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.4 t -130.72 159.03 38.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 112.522 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -143.66 -2.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.335 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -177.89 143.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.594 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.0 m-20 -56.02 -35.77 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.227 0.467 . . . . 0.0 110.641 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -59.7 -26.52 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.477 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 72.0 mm-40 -71.1 -34.65 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -80.62 139.91 36.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.124 0.488 . . . . 0.0 110.743 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.536 HD12 HG11 ' A' ' 8' ' ' VAL . 5.4 tt -52.45 -40.25 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.546 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.74 10.44 40.05 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 53.2 ttm-85 52.44 59.58 4.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.474 0.654 . . . . 0.0 110.315 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 35' ' ' LEU . 5.3 tp -147.73 87.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.032 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -87.28 95.04 9.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.522 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.643 HH12 ' CD ' ' A' ' 40' ' ' GLU . 31.3 mtm180 -107.59 117.91 35.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.914 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 55.83 42.3 29.16 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.437 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 64.96 18.35 11.46 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.053 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -131.64 161.74 32.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.31 162.41 19.11 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.426 0.631 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.1 m -158.27 161.01 37.68 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.655 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 27' ' ' LEU . 89.8 mt -85.9 -157.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.3 65.47 0.42 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.21 0.528 . . . . 0.0 111.072 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.73 79.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.692 . . . . 0.0 109.306 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.83 56.4 0.62 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -129.03 -13.27 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.643 ' CD ' HH12 ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.843 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE2' ' HD1' ' A' ' 5' ' ' TRP . 11.8 ttt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -67.11 -54.77 18.28 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 13.6 Cg_endo -57.7 128.13 27.99 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.847 1.698 . . . . 0.0 111.836 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.26 64.4 7.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.569 ' HE3' HD13 ' A' ' 24' ' ' ILE . 34.0 m95 -85.56 17.98 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.72 146.1 37.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.53 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.51 41.31 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.6 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.628 ' HB ' HD23 ' A' ' 10' ' ' LEU . 3.2 m -114.13 164.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.586 0.231 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.45 7.97 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.619 0.723 . . . . 0.0 111.887 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.717 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.9 pt? -132.5 -154.52 0.62 Allowed 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.466 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.45 125.85 58.39 Favored Pre-proline 0 C--N 1.307 -1.253 0 CA-C-O 120.985 0.422 . . . . 0.0 112.021 -177.639 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.56 -174.06 2.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.619 2.212 . . . . 0.0 110.841 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 5' ' ' TRP . 9.2 mm -60.57 -58.22 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.381 . . . . 0.0 111.921 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.64 46.25 1.66 Allowed Glycine 0 C--N 1.318 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.342 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.38 178.13 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.19 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 18.9 m -89.51 167.81 12.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.664 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 46.5 t -138.82 163.94 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.73 0.776 . . . . 0.0 112.672 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 60.3 mtt180 -130.52 -35.1 1.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.194 -1.367 . . . . 0.0 108.608 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.57 154.87 32.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 46.3 m-20 -50.05 -42.44 49.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.35 0.523 . . . . 0.0 111.613 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -62.85 -19.75 64.43 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.499 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.8 mm-40 -74.19 -25.63 59.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.784 0.326 . . . . 0.0 110.217 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 73.6 m -97.49 139.5 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.951 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.717 ' HA ' HD11 ' A' ' 10' ' ' LEU . 8.1 tt -50.77 -38.39 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.763 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -2.3 51.2 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.68 41.54 28.2 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.269 0.556 . . . . 0.0 110.325 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 38' ' ' ALA . 2.6 tt -141.28 102.66 4.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.74 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.3 t -90.52 85.22 6.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 110.876 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -83.66 106.9 15.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.921 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 mttp 54.95 43.07 30.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.785 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 41.9 ttp85 66.65 22.78 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.105 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -135.8 163.7 29.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.05 153.83 20.27 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.034 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 m -162.29 176.33 10.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.823 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.613 ' HG ' ' H ' ' A' ' 36' ' ' SER . 11.6 tp -82.47 -155.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.613 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -73.57 50.72 0.33 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.263 0.554 . . . . 0.0 110.82 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 m -113.52 62.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.818 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -79.28 67.37 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.91 22.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.389 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.033 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -55.98 1.33 Allowed Pre-proline 0 CA--C 1.537 0.478 0 O-C-N 123.278 0.361 . . . . 0.0 111.756 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -75.01 83.07 1.88 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.686 1.591 . . . . 0.0 112.14 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 24' ' ' ILE . 11.0 t80 -62.47 -21.61 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 p-90 -77.96 8.66 4.41 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.199 0.523 . . . . 0.0 110.838 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 4.7 mmp_? -119.31 -4.91 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.274 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.61 67.45 0.37 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.687 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 24' ' ' ILE . 14.4 p -132.43 157.06 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.041 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -87.79 15.27 7.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.408 0.623 . . . . 0.0 111.463 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.58 -165.1 1.43 Allowed 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.371 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.21 124.31 63.46 Favored Pre-proline 0 C--N 1.312 -1.063 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.391 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 22.2 Cg_exo -66.26 167.27 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.797 2.331 . . . . 0.0 111.906 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.735 HD12 ' HG ' ' A' ' 35' ' ' LEU . 2.8 tt -54.62 -49.23 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.6 47.51 3.49 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.15 171.67 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.257 0.551 . . . . 0.0 111.895 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -84.26 161.87 20.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.751 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 42.2 t -133.76 163.39 29.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.871 0.843 . . . . 0.0 112.053 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -129.01 -36.2 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.551 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.9 t70 -152.65 152.17 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 m-20 -52.11 -40.32 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.426 0.557 . . . . 0.0 111.384 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -61.54 -20.91 63.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.811 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.5 mm-40 -72.09 -32.31 66.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.194 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 95.0 m -88.06 146.53 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.439 HG13 HG21 ' A' ' 8' ' ' VAL . 7.8 tt -54.47 -38.79 42.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.466 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -1.98 58.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 14.0 ttp180 57.13 50.86 11.16 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.344 0.593 . . . . 0.0 110.552 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 35' ' ' LEU . 14.8 tp -147.21 97.93 2.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.625 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.2 t -89.47 75.61 7.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.017 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' HD2' ' O ' ' A' ' 39' ' ' GLN . 35.2 ttp85 -87.77 128.08 35.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.27 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 57.4 28.58 15.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.357 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 61.3 30.71 19.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.888 0.851 . . . . 0.0 109.894 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 59.0 mtt-85 -140.45 174.16 10.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.298 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 71.7 m -89.74 153.92 20.32 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.48 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -162.14 164.71 27.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.388 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 13' ' ' ILE . 96.5 mt -81.98 -158.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 63.63 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.282 0.563 . . . . 0.0 110.779 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.39 77.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.578 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.5 56.64 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.296 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.606 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 77.4 mt-30 -132.92 105.65 7.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.959 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.47 179.664 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.67 125.57 10.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 123.244 0.34 . . . . 0.0 110.538 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 87.3 Cg_endo -79.45 51.06 3.72 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.975 2.45 . . . . 0.0 113.098 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -69.97 -36.59 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.035 0.445 . . . . 0.0 110.64 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -154.53 20.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.23 0.538 . . . . 0.0 110.337 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 3' ' ' PRO . 54.4 mtm180 -151.43 126.07 9.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.733 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.73 -11.25 56.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 10' ' ' LEU . 7.8 p -78.17 149.66 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.221 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -85.28 9.17 16.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.559 0.695 . . . . 0.0 111.586 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 ' H ' HG22 ' A' ' 8' ' ' VAL . 73.8 mt -119.53 -168.24 1.55 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.58 128.78 47.35 Favored Pre-proline 0 C--N 1.31 -1.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -71.5 174.95 10.15 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.431 2.087 . . . . 0.0 111.48 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.37 -40.05 82.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.02 47.89 3.93 Favored Glycine 0 C--N 1.318 -0.471 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.253 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.68 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.385 0.612 . . . . 0.0 112.345 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -89.9 171.61 9.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.877 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.448 ' HB3' ' C ' ' A' ' 31' ' ' ARG . 45.2 t -138.15 162.19 34.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.72 0.772 . . . . 0.0 112.425 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -137.18 -25.53 1.05 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.664 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -157.71 149.73 22.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.73 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 m-20 -52.56 -42.06 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.269 0.94 . . . . 0.0 110.566 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.559 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -62.26 -16.56 54.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.259 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.7 -35.02 74.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -87.13 147.45 25.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.287 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 tt -55.13 -37.46 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -2.87 44.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.514 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.73 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.18 44.53 24.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 109.97 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.5 tp -147.31 112.69 5.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.13 102.01 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.394 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 tpt85 -91.25 95.17 9.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.4 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt 54.85 44.88 27.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 25.8 ttt180 69.61 20.3 7.07 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.461 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -138.04 166.51 23.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.0 m -90.75 151.51 21.18 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.151 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 m -167.15 -179.84 4.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.091 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.72 -159.39 0.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.8 55.1 0.27 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 111.087 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.57 39.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.78 126.95 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.665 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -168.26 114.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.335 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.134 -179.245 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -103.36 132.97 20.58 Favored Pre-proline 0 C--N 1.319 -0.728 0 O-C-N 123.263 0.352 . . . . 0.0 110.479 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 11.6 Cg_exo -71.5 78.02 1.66 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.07 2.513 . . . . 0.0 112.167 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -77.9 -2.74 38.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -73.03 78.56 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.305 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -110.84 -59.83 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.457 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.03 66.49 3.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.726 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.595 HG12 ' H ' ' A' ' 10' ' ' LEU . 2.5 t -78.04 131.97 33.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.073 0.463 . . . . 0.0 111.286 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -114.99 10.08 16.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.262 1.029 . . . . 0.0 109.437 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' H ' HG12 ' A' ' 8' ' ' VAL . 79.2 mt -138.54 -153.8 0.49 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.279 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.63 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.92 122.23 85.23 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.429 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 27.4 Cg_exo -62.12 158.48 39.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.102 2.535 . . . . 0.0 112.846 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.493 HD11 HD23 ' A' ' 35' ' ' LEU . 1.6 tp -53.0 -52.35 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.44 31.7 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.418 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.99 178.77 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.15 0.475 . . . . 0.0 111.804 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -82.79 166.38 19.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.956 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 34.5 t -143.23 163.54 32.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.647 0.737 . . . . 0.0 112.636 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 54.1 mtm180 -133.33 -28.47 1.48 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.391 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -154.75 141.86 19.36 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.2 m-20 -53.97 -36.32 62.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.477 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 m -61.66 -26.41 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.27 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 11.6 mt-10 -76.22 -20.56 57.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.2 m -94.56 140.94 29.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.419 0.628 . . . . 0.0 111.996 -178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.507 ' HB ' HG13 ' A' ' 8' ' ' VAL . 9.2 tt -58.93 -36.56 62.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.194 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -13.34 59.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER 59.11 33.55 22.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.152 -178.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' ARG . 2.1 tt -138.62 101.16 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.6 t -90.52 76.96 6.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.616 0.722 . . . . 0.0 110.143 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 11.0 tpt180 -89.48 123.32 33.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.667 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 17.2 ptmt 48.45 42.85 19.19 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.138 0.975 . . . . 0.0 111.986 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 67.32 29.47 7.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.555 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -136.1 168.0 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m -89.15 8.65 28.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.255 0.55 . . . . 0.0 111.898 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' HD22 ' A' ' 27' ' ' LEU . 5.2 m -62.14 140.84 58.41 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.192 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' HG22 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -77.46 -156.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.24 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.75 44.38 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.082 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.499 HG22 ' HG ' ' A' ' 35' ' ' LEU . 19.1 m -127.68 13.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.791 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.7 109.69 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.576 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.02 29.68 0.12 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.195 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.379 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.8 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 ttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 125.09 25.35 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 123.116 0.26 . . . . 0.0 110.404 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.01 -30.31 82.9 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.886 2.391 . . . . 0.0 112.271 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -77.29 34.44 0.16 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.683 ' HA ' ' HB2' ' A' ' 12' ' ' PRO . 16.1 t90 -128.65 -14.71 4.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -125.95 142.93 51.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.273 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.43 14.52 82.41 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.623 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 10' ' ' LEU . 2.7 t -86.27 136.28 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.713 0.292 . . . . 0.0 110.67 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.11 8.86 41.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.073 0.939 . . . . 0.0 110.32 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.2 pt? -142.42 -145.96 0.18 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.834 ' HD2' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -89.84 119.7 69.41 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-O 120.968 0.413 . . . . 0.0 111.141 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.683 ' HB2' ' HA ' ' A' ' 5' ' ' TRP . 58.8 Cg_endo -77.33 173.49 14.23 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.683 2.255 . . . . 0.0 111.141 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 tt -56.6 -49.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.59 50.61 4.39 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.39 179.35 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.746 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.8 m -88.83 167.88 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.79 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 9.7 t -161.68 161.3 29.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 112.33 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -132.13 -26.29 1.93 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.122 177.588 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.6 t70 -141.96 138.84 32.23 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 5.3 m-20 -53.82 -33.65 56.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -60.86 -18.74 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.456 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.834 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 28.5 mt-10 -78.66 -33.47 47.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.412 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.1 m -86.04 136.55 33.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.216 0.531 . . . . 0.0 111.605 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' HA ' HD11 ' A' ' 10' ' ' LEU . 7.9 tt -55.29 -35.3 36.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.961 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.48 ' CG2' HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -85.31 -5.4 59.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.426 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 4.2 tpt180 57.89 36.67 26.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.024 0.44 . . . . 0.0 110.62 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.758 HD22 ' HD3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -132.66 92.79 3.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.266 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -91.26 125.0 35.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.683 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.758 ' HD3' HD22 ' A' ' 27' ' ' LEU . 7.1 mtp85 -144.62 123.63 12.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 56.28 43.5 26.35 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.135 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 17' ' ' CYS . 22.6 tpt85 67.84 15.78 9.62 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 111.488 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 4.8 mtt85 -137.0 170.43 16.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 95.3 m -89.34 162.76 15.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -158.32 -172.13 3.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.432 0.634 . . . . 0.0 110.937 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 25' ' ' THR . 49.3 tp -158.95 176.96 11.66 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -74.23 55.62 0.6 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.296 0.569 . . . . 0.0 109.719 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.4 11.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.527 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -175.44 172.23 2.69 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.9 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.57 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 6.9 tp60 -99.31 178.91 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.57 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 5.1 mm-40 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.679 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -65.06 -57.32 15.98 Favored Pre-proline 0 CA--C 1.536 0.441 0 O-C-N 123.037 0.211 . . . . 0.0 111.284 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 5.0 Cg_exo -75.21 122.83 7.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.858 1.706 . . . . 0.0 111.281 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -99.27 69.95 1.72 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 0.0 110.415 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -71.56 5.44 2.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -112.92 1.25 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.582 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.74 81.66 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.803 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -148.16 157.48 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.79 0.329 . . . . 0.0 110.149 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -88.02 11.89 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.701 0.762 . . . . 0.0 111.142 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 -167.78 1.38 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.39 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -91.14 119.46 68.78 Favored Pre-proline 0 C--N 1.307 -1.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.9 Cg_exo -66.6 172.18 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.889 2.393 . . . . 0.0 111.986 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.751 HD12 ' HG ' ' A' ' 35' ' ' LEU . 5.3 tt -56.95 -46.94 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.775 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.89 43.03 2.76 Favored Glycine 0 C--N 1.316 -0.528 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.965 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.29 173.16 11.55 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.154 0.502 . . . . 0.0 111.981 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.6 167.25 15.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.583 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.23 160.7 41.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.465 0.65 . . . . 0.0 112.218 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -134.7 -26.57 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.705 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -154.07 146.01 23.55 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 12.1 m-20 -53.16 -37.85 62.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.909 0.322 . . . . 0.0 111.746 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -60.27 -20.35 58.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.95 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.9 mt-10 -77.2 -32.65 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.793 0.33 . . . . 0.0 110.115 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.2 m -79.16 139.67 37.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 tt -53.27 -38.65 31.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.24 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.63 12.18 36.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.628 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 50.8 54.81 10.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.172 0.51 . . . . 0.0 111.878 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.1 tt -144.82 94.36 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -90.04 90.68 8.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.345 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -100.25 117.99 35.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 30' ' ' LYS . 20.1 ptmt 49.64 47.43 22.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.346 1.058 . . . . 0.0 112.787 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 67.3 20.42 10.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.781 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.62 162.27 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.066 0.46 . . . . 0.0 109.951 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 54.0 m -91.69 160.3 15.43 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.44 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -166.38 168.84 14.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.691 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.751 ' HG ' HD12 ' A' ' 13' ' ' ILE . 82.9 mt -85.01 -150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -71.52 67.73 0.54 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.2 0.524 . . . . 0.0 110.42 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 40' ' ' GLU . 1.4 m -142.29 85.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.072 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -85.77 -49.85 7.61 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.125 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.05 -5.66 10.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.61 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HG2' HG12 ' A' ' 37' ' ' VAL . 1.8 pm0 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.122 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -80.73 127.53 74.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.321 0.388 . . . . 0.0 110.684 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 6.4 Cg_exo -74.19 60.24 4.72 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.273 2.649 . . . . 0.0 112.241 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE2' HG21 ' A' ' 13' ' ' ILE . 38.2 t80 -76.7 -21.96 54.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.367 0.603 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 12' ' ' PRO . 50.1 p-90 -128.33 157.68 40.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.628 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -132.97 152.85 51.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.559 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.98 69.76 3.19 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.794 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG23 ' H ' ' A' ' 10' ' ' LEU . 16.5 m -82.68 -169.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.02 0.438 . . . . 0.0 111.078 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -82.23 15.34 2.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.403 0.621 . . . . 0.0 111.561 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' H ' HG23 ' A' ' 8' ' ' VAL . 74.6 mt -136.14 -166.93 1.95 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD3' ' HB3' ' A' ' 22' ' ' GLU . 24.5 mtp85 -90.26 132.98 34.18 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HB2' ' HB2' ' A' ' 5' ' ' TRP . 60.5 Cg_endo -76.33 162.64 33.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.878 2.385 . . . . 0.0 112.345 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 4' ' ' PHE . 10.2 mm -50.93 -58.56 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.66 41.62 0.68 Allowed Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.615 -0.721 . . . . 0.0 113.767 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.26 177.15 7.98 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.29 0.566 . . . . 0.0 111.604 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 p -81.6 169.05 17.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.395 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 44.3 t -148.7 162.76 39.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.466 0.65 . . . . 0.0 111.8 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 89.5 mtm180 -132.95 -29.49 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.505 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -155.17 145.12 21.6 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 10.1 m-20 -52.83 -34.3 53.32 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -59.84 -27.37 66.59 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 9.8 mt-10 -74.18 -26.46 60.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.03 135.87 34.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.407 0.622 . . . . 0.0 111.441 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.21 -34.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.554 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 HG21 ' HG ' ' A' ' 35' ' ' LEU . 11.3 t -107.93 10.06 28.52 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 49.4 ttm-85 53.25 57.62 6.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.567 0.699 . . . . 0.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -143.57 84.19 1.79 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.64 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.46 70.35 10.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.048 0.927 . . . . 0.0 109.191 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.669 HH12 ' HA ' ' A' ' 40' ' ' GLU . 40.3 ttm-85 -83.74 117.14 23.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.685 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 54.7 44.26 28.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.338 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 66.2 21.25 11.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.829 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -135.96 170.93 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 m -88.25 14.35 9.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.176 0.512 . . . . 0.0 112.116 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.72 127.64 14.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.171 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.725 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.6 mt -79.49 -167.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.688 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -77.86 38.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 0.0 110.296 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' H ' ' C ' ' A' ' 35' ' ' LEU . 14.3 m -110.51 16.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.874 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.93 150.72 41.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.182 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -62.06 156.6 20.98 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.227 0.329 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.669 ' HA ' HH12 ' A' ' 29' ' ' ARG . 5.5 mm-40 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.265 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.483 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -119.94 121.17 29.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 123.186 0.304 . . . . 0.0 110.767 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 4.3 Cg_exo -77.77 -15.4 15.17 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.052 2.501 . . . . 0.0 112.949 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -118.08 -63.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.901 ' HB3' HD13 ' A' ' 24' ' ' ILE . 72.3 t-105 -172.98 -50.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.179 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.658 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmp_? -130.69 -167.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.484 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.05 -25.81 50.93 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.796 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.5 138.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -100.56 108.55 20.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.801 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.7 pt? -159.62 -150.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -73.52 114.84 35.66 Favored Pre-proline 0 C--N 1.316 -0.879 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.615 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.62 165.82 26.14 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.67 2.247 . . . . 0.0 111.617 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD12 ' HG ' ' A' ' 35' ' ' LEU . 5.1 tt -58.81 -49.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.84 0.353 . . . . 0.0 111.514 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.07 47.52 3.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 169.1 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.585 ' HA ' ' HG3' ' A' ' 32' ' ' ARG . 1.5 m -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.108 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -164.59 165.41 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.807 0.813 . . . . 0.0 112.358 -177.559 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 4.0 tpt85 -124.9 -29.6 3.35 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.47 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -137.72 139.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.719 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.6 m-20 -52.09 -37.78 55.08 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -54.34 -23.8 16.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.449 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 35.4 mt-10 -80.3 -35.11 36.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 77.3 m -77.28 140.15 39.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.544 0.687 . . . . 0.0 112.22 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.901 HD13 ' HB3' ' A' ' 5' ' ' TRP . 17.4 tt -56.67 -37.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.267 -1.333 . . . . 0.0 111.784 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.24 -2.81 58.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.934 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 53.77 48.15 22.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.979 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -151.34 95.5 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.709 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.87 134.15 35.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.055 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -148.66 134.88 19.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.6 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 57.36 34.17 24.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.495 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 67.24 26.21 8.69 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.242 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -145.1 172.46 13.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.6 m -85.61 159.58 19.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.8 m -155.43 171.49 19.8 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' HG ' HD12 ' A' ' 13' ' ' ILE . 1.5 mt -90.13 -157.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.72 53.28 0.32 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.05 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.49 95.7 6.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -127.34 12.19 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.05 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.246 0.888 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.35 120.75 66.33 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.26 91.34 1.12 Allowed 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.756 2.304 . . . . 0.0 112.264 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -131.9 87.53 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.261 0.553 . . . . 0.0 110.606 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -78.39 163.3 25.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.274 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.437 ' HE ' HD11 ' A' ' 24' ' ' ILE . 67.6 mtm180 -125.82 134.32 51.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.091 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.67 -34.1 86.42 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.58 96.99 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.458 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' HD23 ' A' ' 10' ' ' LEU . 76.3 p -178.61 -144.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.904 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.914 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -84.07 -140.87 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.917 179.418 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.68 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.36 115.82 58.91 Favored Pre-proline 0 C--N 1.31 -1.109 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.229 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 6.1 Cg_exo -74.33 -175.75 2.38 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.968 2.445 . . . . 0.0 111.477 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.772 HD12 ' HB2' ' A' ' 35' ' ' LEU . 4.3 tt -60.3 -48.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.73 49.32 3.88 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.673 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.11 168.36 20.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.189 0.519 . . . . 0.0 111.862 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -80.53 168.71 18.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.391 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.8 t -141.13 161.21 38.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.889 0.852 . . . . 0.0 112.79 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 2.9 tpm_? -129.5 -33.93 1.84 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.809 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.3 t70 -161.73 157.99 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 34.5 m-20 -53.74 -34.15 58.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.746 0.703 . . . . 0.0 111.194 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -58.0 -24.01 56.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.423 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 12.8 mm-40 -74.83 -32.56 61.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.6 m -88.98 136.37 33.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.407 0.622 . . . . 0.0 111.445 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.437 HD11 ' HE ' ' A' ' 6' ' ' ARG . 7.2 tt -51.91 -37.0 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.505 -1.225 . . . . 0.0 113.002 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.98 7.19 47.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.4 OUTLIER 54.62 58.45 4.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.968 0.89 . . . . 0.0 109.221 -178.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tp -145.88 83.04 1.63 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.536 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.98 104.84 17.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.878 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -119.32 120.69 37.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 57.47 40.47 27.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.851 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 66.81 19.29 10.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.427 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -134.92 168.75 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m -90.61 165.53 13.69 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.22 0.533 . . . . 0.0 110.678 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -158.06 159.57 36.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.996 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.772 ' HB2' HD12 ' A' ' 13' ' ' ILE . 1.3 tp -108.46 -160.23 0.72 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.628 ' HA ' ' O ' ' A' ' 40' ' ' GLU . 4.9 m -67.65 70.09 0.12 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.461 0.648 . . . . 0.0 111.761 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 46.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.626 0.727 . . . . 0.0 109.255 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -163.8 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.529 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -161.7 -64.77 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.311 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.628 ' O ' ' HA ' ' A' ' 36' ' ' SER . 1.4 tp10 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.6 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.481 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -66.57 -58.25 10.46 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.786 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.481 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 94.7 Cg_endo -81.44 68.27 8.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.727 1.618 . . . . 0.0 112.179 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.71 -50.1 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -128.14 154.07 46.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.992 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.36 173.5 10.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.06 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.78 -77.01 1.05 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.85 97.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -157.27 -152.22 0.35 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.916 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.39 -151.45 0.1 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.05 0.452 . . . . 0.0 109.856 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.75 125.51 91.4 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.974 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 24.3 Cg_exo -64.34 -171.74 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.166 2.577 . . . . 0.0 113.253 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.443 HG23 ' HG ' ' A' ' 35' ' ' LEU . 1.3 mt -58.14 -72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.641 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 40.91 0.86 Allowed Glycine 0 C--N 1.318 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 113.489 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.94 171.56 7.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.134 0.492 . . . . 0.0 111.557 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -90.4 158.04 17.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.087 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -132.82 161.58 33.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.055 0.931 . . . . 0.0 112.993 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -139.0 -26.59 0.84 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.476 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . 9.2 t70 -156.24 146.89 21.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.652 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 6.5 m-20 -53.88 -37.16 63.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 119.118 0.872 . . . . 0.0 110.648 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -63.04 -17.77 62.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.969 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.1 mm-40 -75.62 -27.76 58.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.881 0.372 . . . . 0.0 110.367 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 tt -55.24 -41.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.382 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.59 1.83 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.1 ttm-85 55.65 47.38 20.77 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.25 0.548 . . . . 0.0 110.819 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -138.23 96.03 3.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -86.22 80.49 8.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.813 0.816 . . . . 0.0 110.035 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -89.21 112.22 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.482 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 57.49 39.59 27.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.817 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 66.78 21.3 10.53 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.094 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -138.53 168.23 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.5 m -87.68 154.89 20.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.218 0.532 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.8 m -160.69 154.39 22.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HG ' HG23 ' A' ' 13' ' ' ILE . 41.0 mt -83.91 -165.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.26 42.01 0.25 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.996 0.427 . . . . 0.0 111.082 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 37' ' ' VAL . 4.5 m -78.28 43.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.458 0.647 . . . . 0.0 111.262 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.8 23.86 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.726 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -157.98 -41.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.512 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 179.618 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' ' H ' ' A' ' 2' ' ' THR . 51.8 ttp . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.501 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -66.59 -58.24 10.45 Favored Pre-proline 0 CA--C 1.534 0.359 0 O-C-N 123.021 0.201 . . . . 0.0 110.614 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 4.3 Cg_exo -81.19 138.71 11.37 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.064 1.842 . . . . 0.0 111.099 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.72 76.59 1.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.318 0.58 . . . . 0.0 110.708 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -77.75 150.68 34.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 21.1 mtp180 -115.18 170.91 8.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.457 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.34 69.33 2.28 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.023 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' HB ' HD23 ' A' ' 10' ' ' LEU . 12.7 m -73.28 164.41 3.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.809 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -81.93 12.09 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.558 0.694 . . . . 0.0 111.839 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 24' ' ' ILE . 2.2 pt? -138.78 -155.01 0.56 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.368 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.653 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -91.45 121.2 67.81 Favored Pre-proline 0 C--N 1.307 -1.245 0 CA-C-O 120.786 0.326 . . . . 0.0 111.045 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.45 157.54 16.8 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.835 2.357 . . . . 0.0 111.924 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 tt -50.4 -49.11 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.93 44.13 2.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.218 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.28 176.48 9.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.816 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -74.36 162.62 28.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.994 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 38.7 t -131.0 161.75 31.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.784 0.802 . . . . 0.0 112.726 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 58.9 mtm180 -124.41 -34.73 2.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.635 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -161.66 146.96 13.47 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 1.9 m-20 -51.66 -40.07 59.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.955 0.343 . . . . 0.0 111.296 -178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.6 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 61.3 p -56.77 -36.54 69.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.204 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.4 mt-10 -66.43 -30.0 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.269 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.2 m -84.47 134.6 34.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -178.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.571 ' HA ' HD11 ' A' ' 10' ' ' LEU . 6.5 tt -56.16 -34.13 38.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.656 HG21 ' HG ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -81.3 -14.22 57.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.324 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.6 ' HE ' ' HA ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 60.93 30.29 19.53 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 111.034 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 34' ' ' SER . 11.1 tp -130.36 95.11 3.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.033 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.4 65.67 6.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 HH11 ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.59 134.61 41.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -177.651 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.59 29.84 18.42 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.407 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 65.72 20.4 11.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.528 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -129.45 167.5 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 64.1 m -90.52 11.46 21.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.39 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.522 ' O ' HD23 ' A' ' 27' ' ' LEU . 14.4 m -51.57 145.42 8.99 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.251 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.656 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mt -81.3 -164.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.709 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.33 55.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.091 0.472 . . . . 0.0 111.038 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 m -111.94 22.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 110.101 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.66 142.83 45.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.792 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -103.66 45.87 0.94 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.108 0.48 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.739 -179.659 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.485 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -67.85 132.69 92.3 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 8.2 Cg_exo -72.69 134.95 22.97 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.824 2.349 . . . . 0.0 111.731 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -102.91 70.32 1.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.241 0.543 . . . . 0.0 110.13 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -103.57 13.98 32.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.618 0.723 . . . . 0.0 109.95 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -115.2 52.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.021 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 109.4 0.39 Allowed Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.62 121.78 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.622 0.725 . . . . 0.0 111.439 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -165.24 -126.41 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.741 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.18 -151.24 0.08 Allowed 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -71.81 121.76 85.4 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 25.4 Cg_exo -63.65 -178.72 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.188 2.592 . . . . 0.0 113.071 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' H ' HG12 ' A' ' 13' ' ' ILE . 8.5 mm -55.0 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.178 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.81 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.861 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.14 170.48 9.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.13 0.491 . . . . 0.0 111.608 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 m -86.05 161.8 18.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.446 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.1 t -138.05 160.47 39.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -31.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.394 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.29 156.09 33.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 63.5 m-20 -53.37 -41.85 66.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 118.427 0.558 . . . . 0.0 111.333 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -64.04 -16.28 61.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.775 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.5 mm-40 -76.54 -27.62 56.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 110.123 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.7 m -97.61 145.36 26.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 tt -58.05 -35.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.009 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -84.93 -3.1 58.59 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.35 39.35 30.13 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.246 0.545 . . . . 0.0 110.495 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 tp -138.53 95.77 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.749 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -90.14 114.22 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.016 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.521 HH22 ' HB2' ' A' ' 40' ' ' GLU . 17.0 ttt-85 -132.6 132.05 42.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.741 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 29' ' ' ARG . 21.3 pttt 48.24 38.39 10.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.994 0.918 . . . . 0.0 111.929 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 65.46 24.61 11.91 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.227 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -140.77 170.54 15.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 79.1 m -84.27 154.86 22.72 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.5 m -154.36 162.49 41.13 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.107 0.48 . . . . 0.0 110.878 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.513 ' CD1' ' HA ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -114.91 -161.26 0.77 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.28 44.79 0.35 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.325 0.583 . . . . 0.0 110.621 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.5 m -116.75 20.89 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.97 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.43 72.67 3.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.835 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -106.87 30.73 5.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.961 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HB2' HH22 ' A' ' 29' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.61 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.628 ' HB3' HD21 ' A' ' 35' ' ' LEU . 28.4 ttt . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 ' H ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -126.86 -58.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.56 ' HD2' ' H ' ' A' ' 2' ' ' THR . 81.6 Cg_endo -81.65 52.54 4.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.036 1.824 . . . . 0.0 112.024 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.85 -47.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.909 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -83.07 41.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -129.33 7.56 5.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.313 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.41 45.83 0.62 Allowed Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -122.63 159.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.978 0.418 . . . . 0.0 111.276 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.64 9.51 21.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.499 0.666 . . . . 0.0 111.41 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.98 -169.37 1.51 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.93 125.22 59.64 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.515 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 23.3 Cg_exo -65.39 162.83 31.94 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.574 2.183 . . . . 0.0 111.017 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 pt -61.98 -37.04 77.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.31 0.576 . . . . 0.0 110.48 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.1 47.28 3.79 Favored Glycine 0 C--N 1.317 -0.51 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.2 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.69 -179.61 7.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 111.663 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -81.23 162.59 23.49 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 49.0 t -125.7 163.72 22.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.942 0.877 . . . . 0.0 112.409 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.725 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 3.6 tpm_? -133.95 -34.25 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.408 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.5 t70 -161.36 158.44 26.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.663 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 37.3 m-20 -54.97 -42.14 72.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.911 0.778 . . . . 0.0 110.087 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -25.64 66.31 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.312 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.725 ' HG3' ' HB3' ' A' ' 18' ' ' ARG . 16.2 mm-40 -67.79 -35.31 78.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.66 141.32 31.59 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.514 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 tt -53.07 -40.64 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.672 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.44 8.86 38.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 52.43 54.27 10.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.463 0.649 . . . . 0.0 110.968 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.94 93.63 2.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.503 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.24 99.9 12.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.564 HH22 ' HG2' ' A' ' 40' ' ' GLU . 18.9 mtp-105 -116.73 119.94 37.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.9 0.381 . . . . 0.0 111.86 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.2 mttt 58.19 38.57 26.29 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.198 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 9.0 tpt180 72.92 3.65 4.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.865 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -122.97 169.52 11.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 66.4 m -88.85 164.86 15.01 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 m -154.47 162.99 40.86 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.709 ' HG ' ' H ' ' A' ' 36' ' ' SER . 12.9 tp -80.71 -156.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.709 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -72.84 54.52 0.37 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.306 0.574 . . . . 0.0 110.582 178.497 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.6 75.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.989 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.69 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -99.93 -176.09 3.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' HG2' HH22 ' A' ' 29' ' ' ARG . 2.7 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.448 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.516 0.198 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.49 126.7 92.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.095 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.59 83.12 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.25 2.633 . . . . 0.0 112.036 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -83.26 62.35 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.411 0.624 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.56 ' HB2' HD13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -90.55 163.96 14.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.838 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' H ' HD11 ' A' ' 24' ' ' ILE . 68.4 mtt180 -86.53 9.86 17.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.2 -62.74 4.22 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.64 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.93 137.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.181 0.515 . . . . 0.0 111.46 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 p 179.65 -41.55 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.53 1.157 . . . . 0.0 109.302 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 53.0 mt -141.14 -155.78 0.62 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.102 -1.863 . . . . 0.0 108.509 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -71.64 127.81 90.51 Favored Pre-proline 0 C--N 1.313 -1.02 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 31.2 Cg_exo -59.67 166.54 8.01 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.065 2.51 . . . . 0.0 113.434 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.4 mt -55.43 -67.58 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.806 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.55 42.83 1.29 Allowed Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.093 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.19 -179.53 4.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 111.378 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 m -83.99 158.95 21.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.108 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.5 t -126.22 159.34 33.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.57 0.7 . . . . 0.0 112.079 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.703 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 64.2 mtm180 -131.75 -27.95 1.85 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.511 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.1 t70 -165.89 157.09 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.583 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.5 m-20 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.301 0.955 . . . . 0.0 110.432 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -62.6 -22.73 66.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.985 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 8.0 mm-40 -73.45 -31.5 63.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.94 139.26 31.96 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.565 HD11 ' H ' ' A' ' 6' ' ' ARG . 9.2 tt -55.82 -34.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.617 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -0.51 57.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.1 tpp180 59.08 40.33 22.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.068 0.461 . . . . 0.0 110.791 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 38' ' ' ALA . 2.3 tt -137.65 94.49 2.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.026 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -91.26 108.34 19.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.623 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 49.1 ttt180 -131.95 133.62 44.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.517 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 56.64 31.02 18.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.836 0.855 . . . . 0.0 112.01 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 68.22 20.3 8.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 mpt_? -140.34 165.79 26.47 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 99.4 m -83.65 162.08 20.88 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.463 ' HB3' HG23 ' A' ' 37' ' ' VAL . 67.2 m -162.33 166.5 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 27' ' ' LEU . 8.4 tp -86.96 -147.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.478 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -71.67 65.02 0.47 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.019 0.438 . . . . 0.0 110.642 178.636 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -144.27 83.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.327 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.533 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -117.13 -27.73 6.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.615 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -103.05 -25.77 13.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.524 0.678 . . . . 0.0 109.288 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 pm0 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.183 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -56.61 26.94 Favored Pre-proline 0 CA--C 1.537 0.459 0 O-C-N 123.291 0.37 . . . . 0.0 111.145 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.727 ' HB2' ' HD1' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -72.57 126.97 11.97 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.504 1.469 . . . . 0.0 111.644 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.0 67.66 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.367 0.603 . . . . 0.0 110.775 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.727 ' HD1' ' HB2' ' A' ' 3' ' ' PRO . 14.5 m95 -74.41 143.83 44.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.346 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -75.64 155.25 36.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.48 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.51 75.18 2.0 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.497 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG11 HD12 ' A' ' 24' ' ' ILE . 6.0 m -61.04 166.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.972 -0.614 . . . . 0.0 111.843 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -77.74 18.89 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.67 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 24' ' ' ILE . 2.2 pt? -147.55 -155.74 0.65 Allowed 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.99 117.3 67.81 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 5.1 Cg_exo -75.22 -163.61 0.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.131 2.554 . . . . 0.0 111.222 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tt -65.04 -55.19 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.87 44.87 2.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.215 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -123.16 173.77 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 112.271 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 3.6 m -90.17 163.22 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.854 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.1 t -129.31 157.4 41.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.19 0.995 . . . . 0.0 113.67 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 7.1 tmm_? -130.29 -34.52 1.62 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.583 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.32 151.98 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.2 m-20 -54.73 -36.97 65.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 119.009 0.822 . . . . 0.0 110.746 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.03 -21.57 66.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.2 mm-40 -71.74 -28.57 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.095 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.81 135.92 38.09 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.309 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.732 HD12 HG11 ' A' ' 8' ' ' VAL . 10.5 tt -52.89 -38.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.602 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -3.39 58.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 46.2 ttt85 52.78 58.48 5.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.395 0.617 . . . . 0.0 111.269 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -148.61 89.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.0 79.93 7.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.149 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -110.51 134.86 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.519 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm 63.45 28.05 15.31 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.712 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 5.3 tpt180 63.31 20.71 12.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.084 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 40.8 mtp180 -140.33 167.75 21.42 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 56.5 m -79.01 157.77 28.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.043 0.449 . . . . 0.0 110.426 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m -156.48 168.92 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 27' ' ' LEU . 88.5 mt -77.31 -161.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -74.65 37.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.116 0.484 . . . . 0.0 111.077 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.453 ' H ' ' C ' ' A' ' 35' ' ' LEU . 2.2 m -89.39 64.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.816 0.817 . . . . 0.0 109.894 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 -20.06 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.756 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 2.54 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 110.509 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.137 -179.197 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.458 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.14 128.95 91.14 Favored Pre-proline 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.364 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 10.6 Cg_exo -72.98 85.69 1.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.043 2.495 . . . . 0.0 111.323 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -77.48 -50.32 12.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.449 ' HB2' ' HB3' ' A' ' 12' ' ' PRO . 2.7 m-90 -80.2 119.72 23.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -139.88 -175.55 4.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.539 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.86 -46.62 0.7 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.67 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 HD11 ' A' ' 10' ' ' LEU . 2.3 p -149.2 155.44 8.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.25 97.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.183 0.516 . . . . 0.0 112.348 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' CD1' ' HB ' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -175.05 -156.79 0.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' NH2' ' HB2' ' A' ' 22' ' ' GLU . 8.8 ttp180 -90.16 131.59 38.37 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-O 120.562 0.22 . . . . 0.0 111.163 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HB3' ' HB2' ' A' ' 5' ' ' TRP . 17.1 Cg_exo -67.65 173.21 9.31 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.438 2.758 . . . . 0.0 113.281 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 3.8 mm -59.62 -59.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.884 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.28 35.27 0.79 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 114.508 0.563 . . . . 0.0 114.508 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.62 173.09 6.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.506 0.653 . . . . 0.0 111.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.815 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 4.6 m -78.15 -176.68 4.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.004 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 41.1 t -159.42 164.38 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.877 0.846 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 mmt180 -132.66 -37.85 1.03 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.947 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.08 141.6 26.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.606 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.32 -34.95 62.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.966 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.549 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.9 m -59.67 -23.94 63.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' NH2' ' A' ' 11' ' ' ARG . 2.0 mt-10 -87.93 -12.18 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.5 m -97.95 138.34 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 111.428 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.607 ' HB ' ' CD1' ' A' ' 10' ' ' LEU . 8.1 tt -53.25 -37.81 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.702 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -14.53 59.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' ' 21' ' ' SER . 4.9 tpt180 61.38 28.38 17.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.261 0.553 . . . . 0.0 110.312 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -135.04 105.66 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.329 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.2 65.73 6.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.75 0.786 . . . . 0.0 109.444 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -83.18 127.67 33.82 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.826 -178.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 58.88 33.25 22.93 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.463 0.649 . . . . 0.0 109.872 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 31' ' ' ARG . 6.1 tpp180 60.78 29.64 19.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.669 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.815 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 9.6 mtt180 -135.94 174.35 10.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.905 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 72.6 m -87.74 17.91 4.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.404 0.621 . . . . 0.0 111.585 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.8 137.97 9.1 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.753 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -82.51 -165.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.307 179.591 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.83 54.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.113 0.482 . . . . 0.0 111.711 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG13 ' HG ' ' A' ' 35' ' ' LEU . 1.9 m -93.85 40.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.436 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 172.71 11.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.09 54.6 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.444 -178.75 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -78.25 120.27 80.49 Favored Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 123.375 0.422 . . . . 0.0 110.982 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 5.4 Cg_exo -77.38 75.29 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.951 2.434 . . . . 0.0 111.614 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -57.62 -33.03 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.479 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' HE3' HD13 ' A' ' 24' ' ' ILE . 23.8 m95 -72.9 -4.45 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.514 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -122.88 9.8 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 110.381 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.54 46.75 1.49 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.69 HG13 ' H ' ' A' ' 10' ' ' LEU . 9.9 p -145.73 164.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -94.14 19.53 9.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.404 0.621 . . . . 0.0 110.761 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.69 ' H ' HG13 ' A' ' 8' ' ' VAL . 96.3 mt -120.95 -165.52 1.23 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.686 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -90.89 140.76 26.27 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.102 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.81 159.59 38.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.668 2.246 . . . . 0.0 111.327 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.441 ' H ' HG23 ' A' ' 13' ' ' ILE . 2.5 pt -55.57 -38.51 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 111.263 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.43 40.42 2.4 Favored Glycine 0 C--N 1.317 -0.5 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.196 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.53 -178.03 5.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.274 0.537 . . . . 0.0 111.965 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -87.05 161.02 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.888 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 42.1 t -135.57 165.25 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.628 0.728 . . . . 0.0 112.374 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 33.1 mtp-105 -134.85 -31.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.094 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -151.76 143.86 23.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.1 m-20 -53.46 -38.99 64.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.094 0.406 . . . . 0.0 111.348 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -64.3 -17.92 64.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.507 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.62 -13.91 57.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.683 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -103.01 144.9 30.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 111.174 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.614 ' HB ' HG11 ' A' ' 8' ' ' VAL . 8.6 tt -57.15 -37.14 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.134 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.679 HG21 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -82.79 -9.35 59.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.186 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.708 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 54.69 39.41 31.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.269 0.557 . . . . 0.0 110.539 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.782 ' HG ' ' HG2' ' A' ' 29' ' ' ARG . 18.8 tp -135.24 97.68 3.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.388 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -87.79 75.8 8.86 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.76 0.79 . . . . 0.0 110.251 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.782 ' HG2' ' HG ' ' A' ' 27' ' ' LEU . 8.7 mmm180 -93.12 122.5 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.208 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 58.52 37.67 25.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 63.06 25.32 14.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -134.28 168.81 18.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.653 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.61 13.93 6.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.298 0.57 . . . . 0.0 111.52 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -43.19 138.63 2.15 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.859 179.516 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.679 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -80.72 -158.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.553 178.48 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.69 42.09 0.1 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.141 0.496 . . . . 0.0 111.372 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 m -132.02 19.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.204 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.42 56.23 0.76 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.236 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 33.7 tt0 -150.75 143.37 24.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.857 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--O 1.254 1.311 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.371 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 13.3 ttt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.86 114.27 60.12 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 123.259 0.349 . . . . 0.0 110.555 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HB2' HD22 ' A' ' 35' ' ' LEU . 61.3 Cg_endo -78.46 147.08 22.34 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.384 2.056 . . . . 0.0 112.233 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.21 72.8 0.81 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.405 ' CZ3' ' HG2' ' A' ' 3' ' ' PRO . 24.8 p90 -86.17 21.49 2.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.116 0.484 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -138.61 119.41 14.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.293 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 -96.2 0.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.782 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 10' ' ' LEU . 2.1 p -72.36 148.84 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.772 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -89.36 110.58 21.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.474 . . . . 0.0 111.881 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 24' ' ' ILE . 2.0 pt? -167.22 -148.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.73 117.35 66.84 Favored Pre-proline 0 C--N 1.314 -0.945 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.584 -178.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 8.0 Cg_exo -73.42 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.236 2.624 . . . . 0.0 111.916 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.587 HD13 HD11 ' A' ' 35' ' ' LEU . 2.2 mt -63.21 -69.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 45.75 1.15 Allowed Glycine 0 C--N 1.316 -0.566 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.361 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -117.82 169.39 9.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.594 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 m -87.58 155.03 20.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.203 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -124.92 160.28 29.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.054 0.931 . . . . 0.0 113.15 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -134.9 -35.14 0.87 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.809 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -154.11 152.57 30.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.574 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.2 m-20 -52.91 -38.46 61.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.867 0.758 . . . . 0.0 111.216 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.15 -20.36 65.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.1 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.4 mm-40 -70.47 -29.51 66.08 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.097 0.475 . . . . 0.0 110.055 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.8 139.6 33.43 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.344 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.452 ' HA ' HD11 ' A' ' 10' ' ' LEU . 20.1 tt -51.89 -42.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.17 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.88 0.25 40.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 55.14 46.18 24.47 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 -179.682 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 34' ' ' SER . 1.4 tt -137.3 96.18 3.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.828 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.8 t -89.38 101.6 14.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.081 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 14.6 ttt180 -118.26 124.73 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.493 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER 49.58 36.95 11.38 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.069 0.947 . . . . 0.0 112.295 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 70.24 21.59 5.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.575 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -137.36 170.68 15.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 61.6 m -90.27 155.7 18.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.042 0.448 . . . . 0.0 109.959 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.424 ' HB2' HD22 ' A' ' 27' ' ' LEU . 67.7 m -154.96 164.47 38.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.231 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.587 HD11 HD13 ' A' ' 13' ' ' ILE . 68.8 mt -101.2 -158.93 0.7 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 1.8 m -73.04 69.06 0.97 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.0 109.88 178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.89 89.59 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.165 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.71 55.86 0.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.852 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -133.6 117.78 17.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 5.8 tp10 . . . . . 0 C--O 1.257 1.448 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.043 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 13.1 Cg_exo -68.76 172.75 11.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.782 2.321 . . . . 0.0 111.679 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG12 ' H ' ' A' ' 13' ' ' ILE . 15.3 mm -54.03 -58.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.461 . . . . 0.0 111.601 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.13 45.84 1.47 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 172.06 13.54 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.398 0.618 . . . . 0.0 111.59 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -86.16 157.43 20.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.26 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.6 t -124.87 163.49 22.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.45 0.643 . . . . 0.0 111.954 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.724 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 48.6 mtt180 -132.53 -31.81 1.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.193 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 6.8 t70 -158.84 153.78 25.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 8.8 m-20 -52.21 -38.82 59.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 119.301 0.955 . . . . 0.0 111.102 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -61.23 -24.06 66.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.629 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.724 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 15.6 mm-40 -69.09 -33.16 73.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.2 m -85.69 142.89 28.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.35 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 tt -55.7 -37.97 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.008 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.42 4.48 48.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 55.87 46.29 22.43 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.097 0.475 . . . . 0.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.79 101.81 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.6 t -90.57 85.96 6.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.798 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -79.72 93.71 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.157 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mttt 53.68 49.78 18.55 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.576 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 17' ' ' CYS . 6.2 ttm180 70.56 17.03 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.933 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -130.69 157.96 41.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 C--N 1.316 -0.882 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.789 179.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.83 175.55 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.751 2.301 . . . . 0.0 112.152 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -55.26 -49.18 74.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.893 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.02 50.81 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.418 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.2 163.78 31.95 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 111.706 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.43 157.74 28.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.769 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.4 t -130.72 159.03 38.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 112.522 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -143.66 -2.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.335 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -177.89 143.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.594 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.0 m-20 -56.02 -35.77 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.227 0.467 . . . . 0.0 110.641 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -59.7 -26.52 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.477 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 72.0 mm-40 -71.1 -34.65 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -80.62 139.91 36.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.124 0.488 . . . . 0.0 110.743 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 tt -52.45 -40.25 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.546 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.74 10.44 40.05 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 53.2 ttm-85 52.44 59.58 4.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.474 0.654 . . . . 0.0 110.315 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tp -147.73 87.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.032 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -87.28 95.04 9.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.522 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -107.59 117.91 35.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.914 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 55.83 42.3 29.16 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.437 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 64.96 18.35 11.46 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.053 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -131.64 161.74 32.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 121.426 0.631 . . . . 0.0 110.686 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 120.985 0.422 . . . . 0.0 112.021 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.56 -174.06 2.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.619 2.212 . . . . 0.0 110.841 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' H ' HG12 ' A' ' 13' ' ' ILE . 9.2 mm -60.57 -58.22 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.381 . . . . 0.0 111.921 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.64 46.25 1.66 Allowed Glycine 0 C--N 1.318 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.342 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.38 178.13 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.19 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 18.9 m -89.51 167.81 12.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.664 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 46.5 t -138.82 163.94 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.73 0.776 . . . . 0.0 112.672 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 60.3 mtt180 -130.52 -35.1 1.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.194 -1.367 . . . . 0.0 108.608 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.57 154.87 32.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 46.3 m-20 -50.05 -42.44 49.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.35 0.523 . . . . 0.0 111.613 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -62.85 -19.75 64.43 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.499 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.8 mm-40 -74.19 -25.63 59.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.784 0.326 . . . . 0.0 110.217 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 73.6 m -97.49 139.5 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.951 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 tt -50.77 -38.39 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.763 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -2.3 51.2 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.68 41.54 28.2 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.269 0.556 . . . . 0.0 110.325 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -141.28 102.66 4.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.74 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.3 t -90.52 85.22 6.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 110.876 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -83.66 106.9 15.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.921 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 mttp 54.95 43.07 30.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.785 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 41.9 ttp85 66.65 22.78 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.105 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -135.8 163.7 29.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.316 -0.856 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.034 179.462 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 22.2 Cg_exo -66.26 167.27 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.797 2.331 . . . . 0.0 111.906 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tt -54.62 -49.23 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.6 47.51 3.49 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.15 171.67 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.257 0.551 . . . . 0.0 111.895 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -84.26 161.87 20.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.751 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 42.2 t -133.76 163.39 29.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.871 0.843 . . . . 0.0 112.053 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -129.01 -36.2 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.551 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.9 t70 -152.65 152.17 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 m-20 -52.11 -40.32 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.426 0.557 . . . . 0.0 111.384 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -61.54 -20.91 63.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.811 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.5 mm-40 -72.09 -32.31 66.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.194 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 95.0 m -88.06 146.53 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.8 tt -54.47 -38.79 42.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.466 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -1.98 58.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 14.0 ttp180 57.13 50.86 11.16 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.344 0.593 . . . . 0.0 110.552 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 tp -147.21 97.93 2.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.625 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.2 t -89.47 75.61 7.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.017 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 35.2 ttp85 -87.77 128.08 35.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.27 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 57.4 28.58 15.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.357 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 61.3 30.71 19.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.888 0.851 . . . . 0.0 109.894 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 59.0 mtt-85 -140.45 174.16 10.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.298 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 71.7 m . . . . . 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.48 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -71.5 174.95 10.15 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.431 2.087 . . . . 0.0 111.48 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.37 -40.05 82.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.02 47.89 3.93 Favored Glycine 0 C--N 1.318 -0.471 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.253 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.68 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.385 0.612 . . . . 0.0 112.345 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -89.9 171.61 9.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.877 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.448 ' HB3' ' C ' ' A' ' 31' ' ' ARG . 45.2 t -138.15 162.19 34.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.72 0.772 . . . . 0.0 112.425 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -137.18 -25.53 1.05 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.664 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -157.71 149.73 22.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.73 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 m-20 -52.56 -42.06 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.269 0.94 . . . . 0.0 110.566 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.559 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -62.26 -16.56 54.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.259 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.7 -35.02 74.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -87.13 147.45 25.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.287 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 tt -55.13 -37.46 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -2.87 44.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.514 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.73 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.18 44.53 24.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 109.97 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.5 tp -147.31 112.69 5.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.13 102.01 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.394 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 tpt85 -91.25 95.17 9.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.4 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt 54.85 44.88 27.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 25.8 ttt180 69.61 20.3 7.07 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.461 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -138.04 166.51 23.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.318 -0.786 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.151 179.077 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.63 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 27.4 Cg_exo -62.12 158.48 39.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.102 2.535 . . . . 0.0 112.846 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tp -53.0 -52.35 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.44 31.7 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.418 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.99 178.77 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.15 0.475 . . . . 0.0 111.804 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -82.79 166.38 19.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.956 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 34.5 t -143.23 163.54 32.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.647 0.737 . . . . 0.0 112.636 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 54.1 mtm180 -133.33 -28.47 1.48 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.391 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -154.75 141.86 19.36 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.2 m-20 -53.97 -36.32 62.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.477 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 m -61.66 -26.41 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.27 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 11.6 mt-10 -76.22 -20.56 57.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.2 m -94.56 140.94 29.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.419 0.628 . . . . 0.0 111.996 -178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 tt -58.93 -36.56 62.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.194 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -13.34 59.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER 59.11 33.55 22.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.152 -178.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' ARG . 2.1 tt -138.62 101.16 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.6 t -90.52 76.96 6.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.616 0.722 . . . . 0.0 110.143 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 11.0 tpt180 -89.48 123.32 33.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.667 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 17.2 ptmt 48.45 42.85 19.19 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.138 0.975 . . . . 0.0 111.986 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 67.32 29.47 7.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.555 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -136.1 168.0 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 121.255 0.55 . . . . 0.0 111.898 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.834 ' HD2' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.968 0.413 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.33 173.49 14.23 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.683 2.255 . . . . 0.0 111.141 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 tt -56.6 -49.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.59 50.61 4.39 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.39 179.35 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.746 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.8 m -88.83 167.88 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.79 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 9.7 t -161.68 161.3 29.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 112.33 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -132.13 -26.29 1.93 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.122 177.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.6 t70 -141.96 138.84 32.23 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 5.3 m-20 -53.82 -33.65 56.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -60.86 -18.74 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.456 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.834 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 28.5 mt-10 -78.66 -33.47 47.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.412 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.1 m -86.04 136.55 33.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.216 0.531 . . . . 0.0 111.605 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.9 tt -55.29 -35.3 36.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.961 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.31 -5.4 59.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.426 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 4.2 tpt180 57.89 36.67 26.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.024 0.44 . . . . 0.0 110.62 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.758 HD22 ' HD3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -132.66 92.79 3.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.266 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -91.26 125.0 35.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.683 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.758 ' HD3' HD22 ' A' ' 27' ' ' LEU . 7.1 mtp85 -144.62 123.63 12.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 56.28 43.5 26.35 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.135 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 17' ' ' CYS . 22.6 tpt85 67.84 15.78 9.62 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 111.488 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 4.8 mtt85 -137.0 170.43 16.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 95.3 m . . . . . 0 C--N 1.32 -0.717 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.642 0.258 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.9 Cg_exo -66.6 172.18 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.889 2.393 . . . . 0.0 111.986 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 tt -56.95 -46.94 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.89 43.03 2.76 Favored Glycine 0 C--N 1.316 -0.528 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.965 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.29 173.16 11.55 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.154 0.502 . . . . 0.0 111.981 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.6 167.25 15.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.583 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.23 160.7 41.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.465 0.65 . . . . 0.0 112.218 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -134.7 -26.57 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.705 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -154.07 146.01 23.55 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 12.1 m-20 -53.16 -37.85 62.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.909 0.322 . . . . 0.0 111.746 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -60.27 -20.35 58.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.95 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.9 mt-10 -77.2 -32.65 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.793 0.33 . . . . 0.0 110.115 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.2 m -79.16 139.67 37.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 tt -53.27 -38.65 31.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.24 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.63 12.18 36.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.628 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 50.8 54.81 10.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.172 0.51 . . . . 0.0 111.878 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -144.82 94.36 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -90.04 90.68 8.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.345 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -100.25 117.99 35.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 30' ' ' LYS . 20.1 ptmt 49.64 47.43 22.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.346 1.058 . . . . 0.0 112.787 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 67.3 20.42 10.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.781 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.62 162.27 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.066 0.46 . . . . 0.0 109.951 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 54.0 m . . . . . 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD3' ' HB3' ' A' ' 22' ' ' GLU . 24.5 mtp85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.33 162.64 33.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.878 2.385 . . . . 0.0 112.345 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.2 mm -50.93 -58.56 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.66 41.62 0.68 Allowed Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.615 -0.721 . . . . 0.0 113.767 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.26 177.15 7.98 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.29 0.566 . . . . 0.0 111.604 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 p -81.6 169.05 17.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.395 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 44.3 t -148.7 162.76 39.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.466 0.65 . . . . 0.0 111.8 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 89.5 mtm180 -132.95 -29.49 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.505 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -155.17 145.12 21.6 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 10.1 m-20 -52.83 -34.3 53.32 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -59.84 -27.37 66.59 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 9.8 mt-10 -74.18 -26.46 60.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.03 135.87 34.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.407 0.622 . . . . 0.0 111.441 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.21 -34.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.554 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 27' ' ' LEU . 11.3 t -107.93 10.06 28.52 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 49.4 ttm-85 53.25 57.62 6.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.567 0.699 . . . . 0.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -143.57 84.19 1.79 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.64 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.46 70.35 10.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.048 0.927 . . . . 0.0 109.191 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB2' HD22 ' A' ' 27' ' ' LEU . 40.3 ttm-85 -83.74 117.14 23.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.685 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 54.7 44.26 28.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.338 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 66.2 21.25 11.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.829 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -135.96 170.93 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.176 0.512 . . . . 0.0 112.116 -178.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.758 0.313 . . . . 0.0 110.615 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.62 165.82 26.14 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.67 2.247 . . . . 0.0 111.617 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 tt -58.81 -49.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.84 0.353 . . . . 0.0 111.514 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.07 47.52 3.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 169.1 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.585 ' HA ' ' HG3' ' A' ' 32' ' ' ARG . 1.5 m -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.108 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -164.59 165.41 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.807 0.813 . . . . 0.0 112.358 -177.559 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.515 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 4.0 tpt85 -124.9 -29.6 3.35 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.47 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -137.72 139.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.719 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.6 m-20 -52.09 -37.78 55.08 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -54.34 -23.8 16.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.449 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 35.4 mt-10 -80.3 -35.11 36.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 77.3 m -77.28 140.15 39.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.544 0.687 . . . . 0.0 112.22 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 tt -56.67 -37.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.267 -1.333 . . . . 0.0 111.784 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.24 -2.81 58.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.934 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 53.77 48.15 22.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.979 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -151.34 95.5 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.709 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.87 134.15 35.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.055 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -148.66 134.88 19.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.6 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 57.36 34.17 24.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.495 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 67.24 26.21 8.69 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.242 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -145.1 172.46 13.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.316 -0.878 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.821 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.68 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.908 0.385 . . . . 0.0 111.229 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 6.1 Cg_exo -74.33 -175.75 2.38 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.968 2.445 . . . . 0.0 111.477 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -60.3 -48.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.73 49.32 3.88 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.673 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.11 168.36 20.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.189 0.519 . . . . 0.0 111.862 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -80.53 168.71 18.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.391 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.8 t -141.13 161.21 38.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.889 0.852 . . . . 0.0 112.79 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 2.9 tpm_? -129.5 -33.93 1.84 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.809 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.3 t70 -161.73 157.99 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 34.5 m-20 -53.74 -34.15 58.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.746 0.703 . . . . 0.0 111.194 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -58.0 -24.01 56.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.423 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 12.8 mm-40 -74.83 -32.56 61.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.6 m -88.98 136.37 33.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.407 0.622 . . . . 0.0 111.445 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 tt -51.91 -37.0 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.505 -1.225 . . . . 0.0 113.002 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.98 7.19 47.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.4 OUTLIER 54.62 58.45 4.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.968 0.89 . . . . 0.0 109.221 -178.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tp -145.88 83.04 1.63 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.536 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.98 104.84 17.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.878 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -119.32 120.69 37.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 57.47 40.47 27.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.851 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 66.81 19.29 10.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.427 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -134.92 168.75 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m . . . . . 0 C--N 1.31 -1.12 0 CA-C-O 121.22 0.533 . . . . 0.0 110.678 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 24.3 Cg_exo -64.34 -171.74 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.166 2.577 . . . . 0.0 113.253 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.3 mt -58.14 -72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.641 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 40.91 0.86 Allowed Glycine 0 C--N 1.318 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 113.489 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.94 171.56 7.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.134 0.492 . . . . 0.0 111.557 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -90.4 158.04 17.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.087 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -132.82 161.58 33.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.055 0.931 . . . . 0.0 112.993 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -139.0 -26.59 0.84 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.476 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . 9.2 t70 -156.24 146.89 21.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.652 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 6.5 m-20 -53.88 -37.16 63.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 119.118 0.872 . . . . 0.0 110.648 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -63.04 -17.77 62.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.969 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.1 mm-40 -75.62 -27.76 58.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.881 0.372 . . . . 0.0 110.367 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 tt -55.24 -41.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.382 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.59 1.83 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.1 ttm-85 55.65 47.38 20.77 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.25 0.548 . . . . 0.0 110.819 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -138.23 96.03 3.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -86.22 80.49 8.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.813 0.816 . . . . 0.0 110.035 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -89.21 112.22 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.482 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 57.49 39.59 27.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.817 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 66.78 21.3 10.53 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.094 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -138.53 168.23 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.5 m . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 121.218 0.532 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.653 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.786 0.326 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.45 157.54 16.8 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.835 2.357 . . . . 0.0 111.924 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 tt -50.4 -49.11 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.93 44.13 2.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.218 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.28 176.48 9.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.816 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -74.36 162.62 28.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.994 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 38.7 t -131.0 161.75 31.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.784 0.802 . . . . 0.0 112.726 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 58.9 mtm180 -124.41 -34.73 2.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.635 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -161.66 146.96 13.47 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 1.9 m-20 -51.66 -40.07 59.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.955 0.343 . . . . 0.0 111.296 -178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.6 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 61.3 p -56.77 -36.54 69.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.204 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.4 mt-10 -66.43 -30.0 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.269 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.2 m -84.47 134.6 34.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -178.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 tt -56.16 -34.13 38.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -14.22 57.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.324 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.6 ' HE ' ' HA ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 60.93 30.29 19.53 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 111.034 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' HH11 ' A' ' 29' ' ' ARG . 11.1 tp -130.36 95.11 3.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.033 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.4 65.67 6.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 HH11 ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.59 134.61 41.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -177.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.59 29.84 18.42 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.407 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 65.72 20.4 11.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.528 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -129.45 167.5 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 64.1 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.39 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 25.4 Cg_exo -63.65 -178.72 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.188 2.592 . . . . 0.0 113.071 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 ' H ' HG12 ' A' ' 13' ' ' ILE . 8.5 mm -55.0 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.178 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.81 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.861 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.14 170.48 9.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.13 0.491 . . . . 0.0 111.608 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 m -86.05 161.8 18.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.446 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.1 t -138.05 160.47 39.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -31.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.394 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.29 156.09 33.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 63.5 m-20 -53.37 -41.85 66.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 118.427 0.558 . . . . 0.0 111.333 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -64.04 -16.28 61.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.775 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.5 mm-40 -76.54 -27.62 56.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 110.123 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.7 m -97.61 145.36 26.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 tt -58.05 -35.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.009 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -84.93 -3.1 58.59 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.35 39.35 30.13 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.246 0.545 . . . . 0.0 110.495 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 tp -138.53 95.77 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.749 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -90.14 114.22 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.016 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 17.0 ttt-85 -132.6 132.05 42.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.741 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 29' ' ' ARG . 21.3 pttt 48.24 38.39 10.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.994 0.918 . . . . 0.0 111.929 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 65.46 24.61 11.91 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.227 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -140.77 170.54 15.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 79.1 m . . . . . 0 C--N 1.316 -0.869 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.551 0.215 . . . . 0.0 110.515 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 23.3 Cg_exo -65.39 162.83 31.94 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.574 2.183 . . . . 0.0 111.017 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 pt -61.98 -37.04 77.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.31 0.576 . . . . 0.0 110.48 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.1 47.28 3.79 Favored Glycine 0 C--N 1.317 -0.51 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.2 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.69 -179.61 7.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 111.663 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -81.23 162.59 23.49 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 49.0 t -125.7 163.72 22.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.942 0.877 . . . . 0.0 112.409 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.725 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 3.6 tpm_? -133.95 -34.25 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.408 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.5 t70 -161.36 158.44 26.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.663 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 37.3 m-20 -54.97 -42.14 72.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.911 0.778 . . . . 0.0 110.087 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -25.64 66.31 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.312 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.725 ' HG3' ' HB3' ' A' ' 18' ' ' ARG . 16.2 mm-40 -67.79 -35.31 78.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.66 141.32 31.59 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.514 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 tt -53.07 -40.64 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.672 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.44 8.86 38.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 52.43 54.27 10.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.463 0.649 . . . . 0.0 110.968 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.94 93.63 2.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.503 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.24 99.9 12.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -116.73 119.94 37.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.9 0.381 . . . . 0.0 111.86 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.2 mttt 58.19 38.57 26.29 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.198 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 9.0 tpt180 72.92 3.65 4.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.865 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -122.97 169.52 11.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 66.4 m . . . . . 0 C--N 1.317 -0.847 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.67 166.54 8.01 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.065 2.51 . . . . 0.0 113.434 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.4 mt -55.43 -67.58 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.806 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.55 42.83 1.29 Allowed Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.093 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.19 -179.53 4.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 111.378 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 m -83.99 158.95 21.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.108 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.5 t -126.22 159.34 33.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.57 0.7 . . . . 0.0 112.079 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.703 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 64.2 mtm180 -131.75 -27.95 1.85 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.511 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.1 t70 -165.89 157.09 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.583 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.5 m-20 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.301 0.955 . . . . 0.0 110.432 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -62.6 -22.73 66.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.985 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 8.0 mm-40 -73.45 -31.5 63.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.94 139.26 31.96 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 tt -55.82 -34.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.617 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -0.51 57.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.1 tpp180 59.08 40.33 22.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.068 0.461 . . . . 0.0 110.791 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tt -137.65 94.49 2.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.026 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -91.26 108.34 19.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.623 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 49.1 ttt180 -131.95 133.62 44.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.517 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 56.64 31.02 18.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.836 0.855 . . . . 0.0 112.01 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 68.22 20.3 8.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 mpt_? -140.34 165.79 26.47 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 99.4 m . . . . . 0 C--N 1.313 -0.993 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 5.1 Cg_exo -75.22 -163.61 0.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.131 2.554 . . . . 0.0 111.222 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tt -65.04 -55.19 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.87 44.87 2.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.215 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -123.16 173.77 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 112.271 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 3.6 m -90.17 163.22 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.854 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.1 t -129.31 157.4 41.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.19 0.995 . . . . 0.0 113.67 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 7.1 tmm_? -130.29 -34.52 1.62 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.583 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.32 151.98 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.2 m-20 -54.73 -36.97 65.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 119.009 0.822 . . . . 0.0 110.746 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.03 -21.57 66.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.2 mm-40 -71.74 -28.57 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.095 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.81 135.92 38.09 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.309 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 tt -52.89 -38.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.602 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -3.39 58.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 46.2 ttt85 52.78 58.48 5.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.395 0.617 . . . . 0.0 111.269 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.61 89.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.0 79.93 7.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.149 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -110.51 134.86 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.519 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm 63.45 28.05 15.31 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.712 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 5.3 tpt180 63.31 20.71 12.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.084 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 40.8 mtp180 -140.33 167.75 21.42 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 56.5 m . . . . . 0 C--N 1.316 -0.854 0 CA-C-O 121.043 0.449 . . . . 0.0 110.426 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' NH2' ' HB2' ' A' ' 22' ' ' GLU . 8.8 ttp180 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.562 0.22 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 17.1 Cg_exo -67.65 173.21 9.31 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.438 2.758 . . . . 0.0 113.281 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 3.8 mm -59.62 -59.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.884 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.28 35.27 0.79 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 114.508 0.563 . . . . 0.0 114.508 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.62 173.09 6.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.506 0.653 . . . . 0.0 111.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.815 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 4.6 m -78.15 -176.68 4.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.004 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 41.1 t -159.42 164.38 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.877 0.846 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 mmt180 -132.66 -37.85 1.03 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.947 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.08 141.6 26.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.606 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.32 -34.95 62.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.966 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.549 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.9 m -59.67 -23.94 63.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' NH2' ' A' ' 11' ' ' ARG . 2.0 mt-10 -87.93 -12.18 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.5 m -97.95 138.34 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 111.428 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 tt -53.25 -37.81 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.702 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -14.53 59.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' ' 21' ' ' SER . 4.9 tpt180 61.38 28.38 17.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.261 0.553 . . . . 0.0 110.312 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -135.04 105.66 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.329 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.2 65.73 6.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.75 0.786 . . . . 0.0 109.444 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -83.18 127.67 33.82 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.826 -178.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 58.88 33.25 22.93 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.463 0.649 . . . . 0.0 109.872 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 31' ' ' ARG . 6.1 tpp180 60.78 29.64 19.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.669 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.815 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 9.6 mtt180 -135.94 174.35 10.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.905 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 72.6 m . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 121.404 0.621 . . . . 0.0 111.585 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 120.852 0.358 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.81 159.59 38.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.668 2.246 . . . . 0.0 111.327 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.441 ' H ' HG23 ' A' ' 13' ' ' ILE . 2.5 pt -55.57 -38.51 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 111.263 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.43 40.42 2.4 Favored Glycine 0 C--N 1.317 -0.5 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.196 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.53 -178.03 5.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.274 0.537 . . . . 0.0 111.965 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -87.05 161.02 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.888 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 42.1 t -135.57 165.25 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.628 0.728 . . . . 0.0 112.374 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 33.1 mtp-105 -134.85 -31.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.094 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -151.76 143.86 23.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.1 m-20 -53.46 -38.99 64.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.094 0.406 . . . . 0.0 111.348 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -64.3 -17.92 64.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.507 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.62 -13.91 57.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.683 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -103.01 144.9 30.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 111.174 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.6 tt -57.15 -37.14 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.134 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -9.35 59.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.186 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.708 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 54.69 39.41 31.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.269 0.557 . . . . 0.0 110.539 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.782 ' HG ' ' HG2' ' A' ' 29' ' ' ARG . 18.8 tp -135.24 97.68 3.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.388 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -87.79 75.8 8.86 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.76 0.79 . . . . 0.0 110.251 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.782 ' HG2' ' HG ' ' A' ' 27' ' ' LEU . 8.7 mmm180 -93.12 122.5 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.208 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 58.52 37.67 25.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 63.06 25.32 14.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -134.28 168.81 18.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.653 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.298 0.57 . . . . 0.0 111.52 -179.424 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.746 0.308 . . . . 0.0 111.584 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 8.0 Cg_exo -73.42 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.236 2.624 . . . . 0.0 111.916 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 2.2 mt -63.21 -69.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 45.75 1.15 Allowed Glycine 0 C--N 1.316 -0.566 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.361 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -117.82 169.39 9.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.594 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 m -87.58 155.03 20.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.203 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -124.92 160.28 29.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.054 0.931 . . . . 0.0 113.15 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -134.9 -35.14 0.87 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.809 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -154.11 152.57 30.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.574 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.2 m-20 -52.91 -38.46 61.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.867 0.758 . . . . 0.0 111.216 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.15 -20.36 65.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.1 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.4 mm-40 -70.47 -29.51 66.08 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.097 0.475 . . . . 0.0 110.055 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.8 139.6 33.43 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.344 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 tt -51.89 -42.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.17 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.88 0.25 40.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 55.14 46.18 24.47 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 -179.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.3 96.18 3.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.828 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.8 t -89.38 101.6 14.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.081 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 14.6 ttt180 -118.26 124.73 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.493 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER 49.58 36.95 11.38 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.069 0.947 . . . . 0.0 112.295 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 70.24 21.59 5.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.575 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -137.36 170.68 15.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 61.6 m . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 121.042 0.448 . . . . 0.0 109.959 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 ttp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.407 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -154.82 -54.96 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.159 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 6.9 Cg_exo -74.62 75.82 3.41 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.363 2.042 . . . . 0.0 112.703 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.836 ' HA ' HD13 ' A' ' 24' ' ' ILE . 72.2 m-85 -71.81 -18.42 62.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.195 0.522 . . . . 0.0 110.936 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.572 ' HE3' HG13 ' A' ' 13' ' ' ILE . 2.3 p90 -112.47 44.37 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.066 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 45.5 mmt-85 -133.75 -179.0 5.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.591 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.32 68.2 2.41 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.768 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG21 HD12 ' A' ' 24' ' ' ILE . 12.4 m -82.68 -177.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.777 0.322 . . . . 0.0 110.433 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.87 5.26 14.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.387 0.613 . . . . 0.0 111.801 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' H ' HG23 ' A' ' 8' ' ' VAL . 71.5 mt -132.51 -165.76 1.65 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.847 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.86 123.75 63.99 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 13.1 Cg_exo -68.76 172.75 11.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.782 2.321 . . . . 0.0 111.679 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.803 HG23 ' HA ' ' A' ' 34' ' ' SER . 15.3 mm -54.03 -58.74 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.461 . . . . 0.0 111.601 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.13 45.84 1.47 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.28 172.06 13.54 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.398 0.618 . . . . 0.0 111.59 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 m -86.16 157.43 20.0 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.26 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.6 t -124.87 163.49 22.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.45 0.643 . . . . 0.0 111.954 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.724 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 48.6 mtt180 -132.53 -31.81 1.36 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.193 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 6.8 t70 -158.84 153.78 25.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 8.8 m-20 -52.21 -38.82 59.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 119.301 0.955 . . . . 0.0 111.102 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -61.23 -24.06 66.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.629 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.724 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 15.6 mm-40 -69.09 -33.16 73.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 84.2 m -85.69 142.89 28.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.35 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 4' ' ' PHE . 8.4 tt -55.7 -37.97 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.008 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.42 4.48 48.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 55.87 46.29 22.43 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.097 0.475 . . . . 0.0 110.995 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' A' ' 38' ' ' ALA . 4.1 tt -141.79 101.81 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.718 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.6 t -90.57 85.96 6.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.545 0.688 . . . . 0.0 110.798 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 37' ' ' VAL . 29.6 ttt180 -79.72 93.71 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.157 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mttt 53.68 49.78 18.55 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.576 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 17' ' ' CYS . 6.2 ttm180 70.56 17.03 6.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.933 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -130.69 157.96 41.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m -91.05 158.9 16.41 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.789 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.803 ' HA ' HG23 ' A' ' 13' ' ' ILE . 10.6 p -177.92 172.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.889 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.93 -157.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.48 52.71 0.29 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.374 0.607 . . . . 0.0 110.49 178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 2.5 m -128.15 59.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.59 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.578 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -84.68 58.15 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.263 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.71 110.37 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.059 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 117.939 -1.029 . . . . 0.0 108.833 178.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HG2' ' H ' ' A' ' 2' ' ' THR . 28.6 ttm . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.518 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -57.19 -56.9 28.88 Favored Pre-proline 0 CA--C 1.537 0.466 0 O-C-N 123.268 0.355 . . . . 0.0 110.853 179.311 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 59.3 Cg_endo -74.52 94.27 0.92 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.611 1.541 . . . . 0.0 110.68 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.521 ' HE2' HD22 ' A' ' 35' ' ' LEU . 39.3 t80 -54.58 -37.21 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.2 p90 -102.28 10.04 39.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 6' ' ' ARG . 46.8 mmt-85 -150.06 33.1 0.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 111.469 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.65 49.69 0.39 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.325 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.536 HG11 HD12 ' A' ' 24' ' ' ILE . 4.2 m -140.89 156.9 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.69 8.47 22.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.61 0.719 . . . . 0.0 111.369 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.97 -172.31 2.19 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.382 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.61 119.67 69.01 Favored Pre-proline 0 C--N 1.306 -1.306 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.947 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -70.83 175.55 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.751 2.301 . . . . 0.0 112.152 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 ' HG ' ' A' ' 35' ' ' LEU . 2.8 tt -55.26 -49.18 74.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.893 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.02 50.81 3.99 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.418 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.2 163.78 31.95 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.263 0.554 . . . . 0.0 111.706 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.43 157.74 28.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.769 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 52.4 t -130.72 159.03 38.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.677 0.751 . . . . 0.0 112.522 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ttp-105 -143.66 -2.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.335 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -177.89 143.6 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.594 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.0 m-20 -56.02 -35.77 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.227 0.467 . . . . 0.0 110.641 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -59.7 -26.52 65.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.477 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 72.0 mm-40 -71.1 -34.65 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.1 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.6 m -80.62 139.91 36.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.124 0.488 . . . . 0.0 110.743 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.536 HD12 HG11 ' A' ' 8' ' ' VAL . 5.4 tt -52.45 -40.25 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.546 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.74 10.44 40.05 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 53.2 ttm-85 52.44 59.58 4.41 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.474 0.654 . . . . 0.0 110.315 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 35' ' ' LEU . 5.3 tp -147.73 87.79 1.65 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.032 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -87.28 95.04 9.84 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.522 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.643 HH12 ' CD ' ' A' ' 40' ' ' GLU . 31.3 mtm180 -107.59 117.91 35.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.914 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 55.83 42.3 29.16 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.437 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 64.96 18.35 11.46 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.913 -1.039 . . . . 0.0 112.053 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -131.64 161.74 32.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.31 162.41 19.11 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.426 0.631 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.1 m -158.27 161.01 37.68 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.655 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 27' ' ' LEU . 89.8 mt -85.9 -157.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.3 65.47 0.42 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.21 0.528 . . . . 0.0 111.072 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -130.73 79.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.692 . . . . 0.0 109.306 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.83 56.4 0.62 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -129.03 -13.27 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.643 ' CD ' HH12 ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.229 0 CA-C-O 118.808 -0.615 . . . . 0.0 110.843 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE2' ' HD1' ' A' ' 5' ' ' TRP . 11.8 ttt . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -67.11 -54.77 18.28 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 13.6 Cg_endo -57.7 128.13 27.99 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.847 1.698 . . . . 0.0 111.836 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.26 64.4 7.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.569 ' HE3' HD13 ' A' ' 24' ' ' ILE . 34.0 m95 -85.56 17.98 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.307 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.72 146.1 37.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.53 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.51 41.31 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.6 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.628 ' HB ' HD23 ' A' ' 10' ' ' LEU . 3.2 m -114.13 164.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.586 0.231 . . . . 0.0 110.595 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.45 7.97 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.619 0.723 . . . . 0.0 111.887 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.717 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.9 pt? -132.5 -154.52 0.62 Allowed 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.466 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.45 125.85 58.39 Favored Pre-proline 0 C--N 1.307 -1.253 0 CA-C-O 120.985 0.422 . . . . 0.0 112.021 -177.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.56 -174.06 2.06 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.619 2.212 . . . . 0.0 110.841 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 5' ' ' TRP . 9.2 mm -60.57 -58.22 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.899 0.381 . . . . 0.0 111.921 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.64 46.25 1.66 Allowed Glycine 0 C--N 1.318 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.342 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.38 178.13 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.382 0.611 . . . . 0.0 112.19 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 18.9 m -89.51 167.81 12.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.664 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 46.5 t -138.82 163.94 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.73 0.776 . . . . 0.0 112.672 -177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 60.3 mtt180 -130.52 -35.1 1.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.194 -1.367 . . . . 0.0 108.608 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -155.57 154.87 32.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 46.3 m-20 -50.05 -42.44 49.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.35 0.523 . . . . 0.0 111.613 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -62.85 -19.75 64.43 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.499 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.8 mm-40 -74.19 -25.63 59.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.784 0.326 . . . . 0.0 110.217 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 73.6 m -97.49 139.5 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.951 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.717 ' HA ' HD11 ' A' ' 10' ' ' LEU . 8.1 tt -50.77 -38.39 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.763 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -2.3 51.2 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.68 41.54 28.2 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.269 0.556 . . . . 0.0 110.325 -179.446 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 38' ' ' ALA . 2.6 tt -141.28 102.66 4.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.74 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.3 t -90.52 85.22 6.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.351 0.596 . . . . 0.0 110.876 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -83.66 106.9 15.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.921 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.7 mttp 54.95 43.07 30.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.785 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 41.9 ttp85 66.65 22.78 10.39 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.105 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -135.8 163.7 29.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -90.05 153.83 20.27 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 120.141 -0.624 . . . . 0.0 110.034 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 m -162.29 176.33 10.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.823 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.613 ' HG ' ' H ' ' A' ' 36' ' ' SER . 11.6 tp -82.47 -155.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.613 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -73.57 50.72 0.33 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.263 0.554 . . . . 0.0 110.82 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 m -113.52 62.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.818 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -79.28 67.37 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.91 22.97 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.389 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.033 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 ttp . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -55.98 1.33 Allowed Pre-proline 0 CA--C 1.537 0.478 0 O-C-N 123.278 0.361 . . . . 0.0 111.756 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -75.01 83.07 1.88 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.686 1.591 . . . . 0.0 112.14 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.436 ' CD2' HD11 ' A' ' 24' ' ' ILE . 11.0 t80 -62.47 -21.61 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 p-90 -77.96 8.66 4.41 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.199 0.523 . . . . 0.0 110.838 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 4.7 mmp_? -119.31 -4.91 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.274 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.61 67.45 0.37 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.687 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG21 HG13 ' A' ' 24' ' ' ILE . 14.4 p -132.43 157.06 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.041 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -87.79 15.27 7.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.408 0.623 . . . . 0.0 111.463 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.4 mt -127.58 -165.1 1.43 Allowed 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.371 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.21 124.31 63.46 Favored Pre-proline 0 C--N 1.312 -1.063 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.391 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 22.2 Cg_exo -66.26 167.27 18.82 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.797 2.331 . . . . 0.0 111.906 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.735 HD12 ' HG ' ' A' ' 35' ' ' LEU . 2.8 tt -54.62 -49.23 68.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.6 47.51 3.49 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.623 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.15 171.67 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.257 0.551 . . . . 0.0 111.895 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -84.26 161.87 20.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.751 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 42.2 t -133.76 163.39 29.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.871 0.843 . . . . 0.0 112.053 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -129.01 -36.2 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.444 -1.253 . . . . 0.0 108.551 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.9 t70 -152.65 152.17 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.0 m-20 -52.11 -40.32 61.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.426 0.557 . . . . 0.0 111.384 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -61.54 -20.91 63.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.811 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.5 mm-40 -72.09 -32.31 66.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.194 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 17' ' ' CYS . 95.0 m -88.06 146.53 25.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.439 HG13 HG21 ' A' ' 8' ' ' VAL . 7.8 tt -54.47 -38.79 42.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.466 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.99 -1.98 58.37 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 14.0 ttp180 57.13 50.86 11.16 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.344 0.593 . . . . 0.0 110.552 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 35' ' ' LEU . 14.8 tp -147.21 97.93 2.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.625 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.2 t -89.47 75.61 7.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.017 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' HD2' ' O ' ' A' ' 39' ' ' GLN . 35.2 ttp85 -87.77 128.08 35.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.27 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? 57.4 28.58 15.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.357 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 61.3 30.71 19.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.888 0.851 . . . . 0.0 109.894 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 32' ' ' ARG . 59.0 mtt-85 -140.45 174.16 10.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.298 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 71.7 m -89.74 153.92 20.32 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.48 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.3 m -162.14 164.71 27.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.388 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 13' ' ' ILE . 96.5 mt -81.98 -158.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 63.63 0.22 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.282 0.563 . . . . 0.0 110.779 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.39 77.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.578 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.5 56.64 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.296 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.606 ' O ' ' HD2' ' A' ' 29' ' ' ARG . 25.6 mt-30 -132.92 105.65 7.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.959 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.47 179.664 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.67 125.57 10.04 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 123.244 0.34 . . . . 0.0 110.538 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 87.3 Cg_endo -79.45 51.06 3.72 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.975 2.45 . . . . 0.0 113.098 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -69.97 -36.59 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.035 0.445 . . . . 0.0 110.64 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -154.53 20.41 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.23 0.538 . . . . 0.0 110.337 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 3' ' ' PRO . 54.4 mtm180 -151.43 126.07 9.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.733 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.73 -11.25 56.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.163 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 10' ' ' LEU . 7.8 p -78.17 149.66 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.978 0.418 . . . . 0.0 110.221 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -85.28 9.17 16.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.559 0.695 . . . . 0.0 111.586 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 ' H ' HG22 ' A' ' 8' ' ' VAL . 73.8 mt -119.53 -168.24 1.55 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.58 128.78 47.35 Favored Pre-proline 0 C--N 1.31 -1.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -71.5 174.95 10.15 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.431 2.087 . . . . 0.0 111.48 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 pt -60.37 -40.05 82.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.02 47.89 3.93 Favored Glycine 0 C--N 1.318 -0.471 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.253 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -140.68 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.385 0.612 . . . . 0.0 112.345 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -89.9 171.61 9.47 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.877 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.448 ' HB3' ' C ' ' A' ' 31' ' ' ARG . 45.2 t -138.15 162.19 34.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.72 0.772 . . . . 0.0 112.425 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -137.18 -25.53 1.05 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.664 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -157.71 149.73 22.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.73 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 5.1 m-20 -52.56 -42.06 64.11 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 119.269 0.94 . . . . 0.0 110.566 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.559 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -62.26 -16.56 54.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.259 -178.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.7 -35.02 74.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -87.13 147.45 25.63 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.287 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 tt -55.13 -37.46 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -2.87 44.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.514 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.73 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.18 44.53 24.91 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 109.97 -179.313 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.5 tp -147.31 112.69 5.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.13 102.01 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.675 0.75 . . . . 0.0 110.394 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.3 tpt85 -91.25 95.17 9.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.4 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt 54.85 44.88 27.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' C ' ' HB3' ' A' ' 17' ' ' CYS . 25.8 ttt180 69.61 20.3 7.07 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.461 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -138.04 166.51 23.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.0 m -90.75 151.51 21.18 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.151 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 m -167.15 -179.84 4.78 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.091 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -95.72 -159.39 0.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.8 55.1 0.27 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 111.087 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.57 39.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.78 126.95 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.665 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -168.26 114.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.335 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.134 -179.245 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 ttp . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -103.36 132.97 20.58 Favored Pre-proline 0 C--N 1.319 -0.728 0 O-C-N 123.263 0.352 . . . . 0.0 110.479 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 11.6 Cg_exo -71.5 78.02 1.66 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.07 2.513 . . . . 0.0 112.167 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -77.9 -2.74 38.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.6 m-90 -73.03 78.56 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.305 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -110.84 -59.83 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.457 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.03 66.49 3.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.726 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.595 HG12 ' H ' ' A' ' 10' ' ' LEU . 2.5 t -78.04 131.97 33.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.073 0.463 . . . . 0.0 111.286 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -114.99 10.08 16.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.262 1.029 . . . . 0.0 109.437 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' H ' HG12 ' A' ' 8' ' ' VAL . 79.2 mt -138.54 -153.8 0.49 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.279 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.63 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.92 122.23 85.23 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 27.4 Cg_exo -62.12 158.48 39.17 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.102 2.535 . . . . 0.0 112.846 -179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.493 HD11 HD23 ' A' ' 35' ' ' LEU . 1.6 tp -53.0 -52.35 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.44 31.7 2.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.511 -0.852 . . . . 0.0 113.418 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.99 178.77 4.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 117.15 0.475 . . . . 0.0 111.804 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 m -82.79 166.38 19.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.956 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 34.5 t -143.23 163.54 32.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.647 0.737 . . . . 0.0 112.636 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 54.1 mtm180 -133.33 -28.47 1.48 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.391 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -154.75 141.86 19.36 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 3.2 m-20 -53.97 -36.32 62.76 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.824 0.345 . . . . 0.0 111.477 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 m -61.66 -26.41 67.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.27 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 11.6 mt-10 -76.22 -20.56 57.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.2 m -94.56 140.94 29.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.419 0.628 . . . . 0.0 111.996 -178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.507 ' HB ' HG13 ' A' ' 8' ' ' VAL . 9.2 tt -58.93 -36.56 62.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.194 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -13.34 59.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER 59.11 33.55 22.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.152 -178.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' ARG . 2.1 tt -138.62 101.16 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.6 t -90.52 76.96 6.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.616 0.722 . . . . 0.0 110.143 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 11.0 tpt180 -89.48 123.32 33.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.667 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 17.2 ptmt 48.45 42.85 19.19 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.138 0.975 . . . . 0.0 111.986 178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 67.32 29.47 7.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.555 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -136.1 168.0 20.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m -89.15 8.65 28.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.255 0.55 . . . . 0.0 111.898 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' HD22 ' A' ' 27' ' ' LEU . 5.2 m -62.14 140.84 58.41 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.192 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HG ' HG22 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -77.46 -156.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.24 179.272 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.75 44.38 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.082 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.499 HG22 ' HG ' ' A' ' 35' ' ' LEU . 19.1 m -127.68 13.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 0.0 109.791 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.7 109.69 14.02 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.576 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.02 29.68 0.12 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.195 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.379 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.8 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 ttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.07 125.09 25.35 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 123.116 0.26 . . . . 0.0 110.404 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.01 -30.31 82.9 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.886 2.391 . . . . 0.0 112.271 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -77.29 34.44 0.16 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.201 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.683 ' HA ' ' HB2' ' A' ' 12' ' ' PRO . 16.1 t90 -128.65 -14.71 4.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -125.95 142.93 51.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.273 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.43 14.52 82.41 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.623 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG12 ' H ' ' A' ' 10' ' ' LEU . 2.7 t -86.27 136.28 23.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.713 0.292 . . . . 0.0 110.67 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.11 8.86 41.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.073 0.939 . . . . 0.0 110.32 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.2 pt? -142.42 -145.96 0.18 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.894 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.834 ' HD2' ' HB3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -89.84 119.7 69.41 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-O 120.968 0.413 . . . . 0.0 111.141 -179.012 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.683 ' HB2' ' HA ' ' A' ' 5' ' ' TRP . 58.8 Cg_endo -77.33 173.49 14.23 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.683 2.255 . . . . 0.0 111.141 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 tt -56.6 -49.84 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.59 50.61 4.39 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.39 179.35 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 0.0 111.746 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.8 m -88.83 167.88 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.79 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 9.7 t -161.68 161.3 29.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.62 0.724 . . . . 0.0 112.33 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -132.13 -26.29 1.93 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.122 177.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.6 t70 -141.96 138.84 32.23 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 5.3 m-20 -53.82 -33.65 56.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -60.86 -18.74 57.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.456 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.834 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 28.5 mt-10 -78.66 -33.47 47.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.412 178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.1 m -86.04 136.55 33.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.216 0.531 . . . . 0.0 111.605 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' HA ' HD11 ' A' ' 10' ' ' LEU . 7.9 tt -55.29 -35.3 36.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.961 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.48 ' CG2' HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -85.31 -5.4 59.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.426 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 4.2 tpt180 57.89 36.67 26.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.024 0.44 . . . . 0.0 110.62 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.758 HD22 ' HD3' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -132.66 92.79 3.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.266 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -91.26 125.0 35.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.683 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.758 ' HD3' HD22 ' A' ' 27' ' ' LEU . 7.1 mtp85 -144.62 123.63 12.8 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.1 mttm 56.28 43.5 26.35 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.135 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 17' ' ' CYS . 22.6 tpt85 67.84 15.78 9.62 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.296 0.569 . . . . 0.0 111.488 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 4.8 mtt85 -137.0 170.43 16.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 95.3 m -89.34 162.76 15.64 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -158.32 -172.13 3.75 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.432 0.634 . . . . 0.0 110.937 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 25' ' ' THR . 49.3 tp -158.95 176.96 11.66 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -74.23 55.62 0.6 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.296 0.569 . . . . 0.0 109.719 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.4 11.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.527 -178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -175.44 172.23 2.69 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.9 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.57 ' HG3' ' H ' ' A' ' 40' ' ' GLU . 6.9 tp60 -99.31 178.91 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.57 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 5.1 mm-40 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.679 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.474 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -65.06 -57.32 15.98 Favored Pre-proline 0 CA--C 1.536 0.441 0 O-C-N 123.037 0.211 . . . . 0.0 111.284 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 5.0 Cg_exo -75.21 122.83 7.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.858 1.706 . . . . 0.0 111.281 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -99.27 69.95 1.72 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.501 . . . . 0.0 110.415 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -71.56 5.44 2.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -112.92 1.25 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.582 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.74 81.66 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.803 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -148.16 157.48 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.79 0.329 . . . . 0.0 110.149 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -88.02 11.89 14.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.701 0.762 . . . . 0.0 111.142 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 -167.78 1.38 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.39 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -91.14 119.46 68.78 Favored Pre-proline 0 C--N 1.307 -1.247 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 19.9 Cg_exo -66.6 172.18 9.67 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.889 2.393 . . . . 0.0 111.986 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.751 HD12 ' HG ' ' A' ' 35' ' ' LEU . 5.3 tt -56.95 -46.94 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.775 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.89 43.03 2.76 Favored Glycine 0 C--N 1.316 -0.528 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.965 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.29 173.16 11.55 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.154 0.502 . . . . 0.0 111.981 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.6 167.25 15.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.583 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -145.23 160.7 41.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.465 0.65 . . . . 0.0 112.218 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -134.7 -26.57 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.705 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -154.07 146.01 23.55 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 12.1 m-20 -53.16 -37.85 62.24 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.909 0.322 . . . . 0.0 111.746 -178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -60.27 -20.35 58.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.95 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.9 mt-10 -77.2 -32.65 56.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.793 0.33 . . . . 0.0 110.115 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 80.2 m -79.16 139.67 37.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.491 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 tt -53.27 -38.65 31.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.24 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.63 12.18 36.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.628 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 50.8 54.81 10.54 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.172 0.51 . . . . 0.0 111.878 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.1 tt -144.82 94.36 2.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.5 t -90.04 90.68 8.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.345 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -100.25 117.99 35.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 30' ' ' LYS . 20.1 ptmt 49.64 47.43 22.78 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.346 1.058 . . . . 0.0 112.787 178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 67.3 20.42 10.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.781 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.62 162.27 33.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.066 0.46 . . . . 0.0 109.951 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 54.0 m -91.69 160.3 15.43 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.857 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.44 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -166.38 168.84 14.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.691 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.751 ' HG ' HD12 ' A' ' 13' ' ' ILE . 82.9 mt -85.01 -150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -71.52 67.73 0.54 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.2 0.524 . . . . 0.0 110.42 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 40' ' ' GLU . 1.4 m -142.29 85.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.072 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' A' ' 27' ' ' LEU . . . -85.77 -49.85 7.61 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.125 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.05 -5.66 10.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.61 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HG2' HG12 ' A' ' 37' ' ' VAL . 1.8 pm0 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.122 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -80.73 127.53 74.9 Favored Pre-proline 0 C--N 1.323 -0.573 0 O-C-N 123.321 0.388 . . . . 0.0 110.684 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 6.4 Cg_exo -74.19 60.24 4.72 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.273 2.649 . . . . 0.0 112.241 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE2' HG21 ' A' ' 13' ' ' ILE . 38.2 t80 -76.7 -21.96 54.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.367 0.603 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 12' ' ' PRO . 50.1 p-90 -128.33 157.68 40.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.628 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -132.97 152.85 51.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.559 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.98 69.76 3.19 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.794 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG23 ' H ' ' A' ' 10' ' ' LEU . 16.5 m -82.68 -169.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.02 0.438 . . . . 0.0 111.078 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -82.23 15.34 2.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.403 0.621 . . . . 0.0 111.561 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' H ' HG23 ' A' ' 8' ' ' VAL . 74.6 mt -136.14 -166.93 1.95 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.124 -0.944 . . . . 0.0 108.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HD3' ' HB3' ' A' ' 22' ' ' GLU . 24.5 mtp85 -90.26 132.98 34.18 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HB2' ' HB2' ' A' ' 5' ' ' TRP . 60.5 Cg_endo -76.33 162.64 33.46 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.878 2.385 . . . . 0.0 112.345 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 4' ' ' PHE . 10.2 mm -50.93 -58.56 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.66 41.62 0.68 Allowed Glycine 0 CA--C 1.521 0.458 0 CA-C-N 115.615 -0.721 . . . . 0.0 113.767 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.26 177.15 7.98 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.29 0.566 . . . . 0.0 111.604 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 p -81.6 169.05 17.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.395 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 44.3 t -148.7 162.76 39.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.466 0.65 . . . . 0.0 111.8 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 89.5 mtm180 -132.95 -29.49 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.505 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -155.17 145.12 21.6 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 10.1 m-20 -52.83 -34.3 53.32 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -59.84 -27.37 66.59 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 9.8 mt-10 -74.18 -26.46 60.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 95.8 m -84.03 135.87 34.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.407 0.622 . . . . 0.0 111.441 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.21 -34.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.554 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 HG21 ' HG ' ' A' ' 35' ' ' LEU . 11.3 t -107.93 10.06 28.52 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 49.4 ttm-85 53.25 57.62 6.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.567 0.699 . . . . 0.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -143.57 84.19 1.79 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.64 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.46 70.35 10.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.048 0.927 . . . . 0.0 109.191 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.669 HH12 ' HA ' ' A' ' 40' ' ' GLU . 40.3 ttm-85 -83.74 117.14 23.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.685 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 mttm 54.7 44.26 28.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.338 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 66.2 21.25 11.11 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.829 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -135.96 170.93 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 m -88.25 14.35 9.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.176 0.512 . . . . 0.0 112.116 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.72 127.64 14.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.171 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.725 ' HA ' HD13 ' A' ' 27' ' ' LEU . 1.6 mt -79.49 -167.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.688 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -77.86 38.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.52 0.676 . . . . 0.0 110.296 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' H ' ' C ' ' A' ' 35' ' ' LEU . 14.3 m -110.51 16.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.874 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.93 150.72 41.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.182 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -62.06 156.6 20.98 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.227 0.329 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.669 ' HA ' HH12 ' A' ' 29' ' ' ARG . 5.5 mm-40 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.265 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.483 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -119.94 121.17 29.83 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 123.186 0.304 . . . . 0.0 110.767 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 4.3 Cg_exo -77.77 -15.4 15.17 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.052 2.501 . . . . 0.0 112.949 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -118.08 -63.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.901 ' HB3' HD13 ' A' ' 24' ' ' ILE . 72.3 t-105 -172.98 -50.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.179 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.658 ' HB2' HD11 ' A' ' 24' ' ' ILE . 5.7 mmp_? -130.69 -167.92 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.484 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.05 -25.81 50.93 Favored Glycine 0 C--O 1.229 -0.168 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.796 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.5 138.2 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.35 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -100.56 108.55 20.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.801 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.7 pt? -159.62 -150.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' HB3' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -73.52 114.84 35.66 Favored Pre-proline 0 C--N 1.316 -0.879 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.615 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.62 165.82 26.14 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.67 2.247 . . . . 0.0 111.617 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD12 ' HG ' ' A' ' 35' ' ' LEU . 5.1 tt -58.81 -49.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.84 0.353 . . . . 0.0 111.514 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.07 47.52 3.84 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.1 169.1 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.585 ' HA ' ' HG3' ' A' ' 32' ' ' ARG . 1.5 m -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.108 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -164.59 165.41 21.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.807 0.813 . . . . 0.0 112.358 -177.559 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 4.0 tpt85 -124.9 -29.6 3.35 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.47 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -137.72 139.28 40.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.719 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.6 m-20 -52.09 -37.78 55.08 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.752 0.31 . . . . 0.0 110.841 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -54.34 -23.8 16.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.449 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 35.4 mt-10 -80.3 -35.11 36.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 11' ' ' ARG . 77.3 m -77.28 140.15 39.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.544 0.687 . . . . 0.0 112.22 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.901 HD13 ' HB3' ' A' ' 5' ' ' TRP . 17.4 tt -56.67 -37.53 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.267 -1.333 . . . . 0.0 111.784 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.24 -2.81 58.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.934 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 53.77 48.15 22.08 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.979 -179.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tt -151.34 95.5 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.709 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.87 134.15 35.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.055 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -148.66 134.88 19.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.6 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 57.36 34.17 24.33 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.495 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 67.24 26.21 8.69 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.242 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -145.1 172.46 13.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 178.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.6 m -85.61 159.58 19.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.8 m -155.43 171.49 19.8 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' HG ' HD12 ' A' ' 13' ' ' ILE . 1.5 mt -90.13 -157.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.72 53.28 0.32 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.05 60.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.78 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.49 95.7 6.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.63 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -127.34 12.19 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.05 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 . . . . . 0 C--O 1.246 0.888 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.35 120.75 66.33 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.621 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.26 91.34 1.12 Allowed 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.756 2.304 . . . . 0.0 112.264 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -131.9 87.53 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.261 0.553 . . . . 0.0 110.606 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -78.39 163.3 25.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.274 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.437 ' HE ' HD11 ' A' ' 24' ' ' ILE . 67.6 mtm180 -125.82 134.32 51.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.091 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.67 -34.1 86.42 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.58 96.99 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.458 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' HD23 ' A' ' 10' ' ' LEU . 76.3 p -178.61 -144.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.904 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.914 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -84.07 -140.87 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.917 179.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.68 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -81.36 115.82 58.91 Favored Pre-proline 0 C--N 1.31 -1.109 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.229 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 6.1 Cg_exo -74.33 -175.75 2.38 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.968 2.445 . . . . 0.0 111.477 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.772 HD12 ' HB2' ' A' ' 35' ' ' LEU . 4.3 tt -60.3 -48.63 87.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.73 49.32 3.88 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.673 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.11 168.36 20.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.189 0.519 . . . . 0.0 111.862 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -80.53 168.71 18.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.391 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.8 t -141.13 161.21 38.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.889 0.852 . . . . 0.0 112.79 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 2.9 tpm_? -129.5 -33.93 1.84 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.015 -1.448 . . . . 0.0 108.809 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 11.3 t70 -161.73 157.99 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 26' ' ' ARG . 34.5 m-20 -53.74 -34.15 58.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.746 0.703 . . . . 0.0 111.194 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -58.0 -24.01 56.39 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.423 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 12.8 mm-40 -74.83 -32.56 61.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 59.6 m -88.98 136.37 33.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.407 0.622 . . . . 0.0 111.445 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.437 HD11 ' HE ' ' A' ' 6' ' ' ARG . 7.2 tt -51.91 -37.0 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.505 -1.225 . . . . 0.0 113.002 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.98 7.19 47.2 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 20' ' ' ASP . 0.4 OUTLIER 54.62 58.45 4.86 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.968 0.89 . . . . 0.0 109.221 -178.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 tp -145.88 83.04 1.63 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.536 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -88.98 104.84 17.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.878 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -119.32 120.69 37.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 57.47 40.47 27.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.851 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 66.81 19.29 10.7 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.427 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -134.92 168.75 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 66.4 m -90.61 165.53 13.69 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.22 0.533 . . . . 0.0 110.678 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -158.06 159.57 36.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.996 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.772 ' HB2' HD12 ' A' ' 13' ' ' ILE . 1.3 tp -108.46 -160.23 0.72 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.628 ' HA ' ' O ' ' A' ' 40' ' ' GLU . 4.9 m -67.65 70.09 0.12 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.461 0.648 . . . . 0.0 111.761 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.08 46.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.626 0.727 . . . . 0.0 109.255 179.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -163.8 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.629 -1.169 . . . . 0.0 109.529 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -161.7 -64.77 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.311 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.628 ' O ' ' HA ' ' A' ' 36' ' ' SER . 1.4 tp10 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.6 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.481 ' HB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -66.57 -58.25 10.46 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.786 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.481 ' HD3' ' HB ' ' A' ' 2' ' ' THR . 94.7 Cg_endo -81.44 68.27 8.19 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.727 1.618 . . . . 0.0 112.179 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -54.71 -50.1 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -128.14 154.07 46.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.992 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -128.36 173.5 10.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.06 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.78 -77.01 1.05 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 m -85.85 97.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -157.27 -152.22 0.35 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.916 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.39 -151.45 0.1 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 121.05 0.452 . . . . 0.0 109.856 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.75 125.51 91.4 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.974 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 24.3 Cg_exo -64.34 -171.74 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.166 2.577 . . . . 0.0 113.253 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.443 HG23 ' HG ' ' A' ' 35' ' ' LEU . 1.3 mt -58.14 -72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.641 -178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 40.91 0.86 Allowed Glycine 0 C--N 1.318 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 113.489 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.94 171.56 7.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.134 0.492 . . . . 0.0 111.557 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 m -90.4 158.04 17.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.087 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -132.82 161.58 33.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.055 0.931 . . . . 0.0 112.993 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 ttp85 -139.0 -26.59 0.84 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.934 -1.484 . . . . 0.0 109.476 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' HB3' ' HG2' ' A' ' 22' ' ' GLU . 9.2 t70 -156.24 146.89 21.82 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.652 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 6.5 m-20 -53.88 -37.16 63.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 119.118 0.872 . . . . 0.0 110.648 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -63.04 -17.77 62.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.969 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 6.1 mm-40 -75.62 -27.76 58.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.881 0.372 . . . . 0.0 110.367 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.06 145.88 24.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 tt -55.24 -41.74 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.382 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.59 1.83 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 10.1 ttm-85 55.65 47.38 20.77 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.25 0.548 . . . . 0.0 110.819 -179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -138.23 96.03 3.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.495 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -86.22 80.49 8.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.813 0.816 . . . . 0.0 110.035 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -89.21 112.22 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.482 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 57.49 39.59 27.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.817 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.6 ttt180 66.78 21.3 10.53 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.094 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -138.53 168.23 20.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 62.5 m -87.68 154.89 20.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.218 0.532 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.8 m -160.69 154.39 22.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HG ' HG23 ' A' ' 13' ' ' ILE . 41.0 mt -83.91 -165.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.26 42.01 0.25 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.996 0.427 . . . . 0.0 111.082 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 37' ' ' VAL . 4.5 m -78.28 43.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.458 0.647 . . . . 0.0 111.262 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -162.8 23.86 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.726 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -157.98 -41.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.512 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.236 179.618 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' ' H ' ' A' ' 2' ' ' THR . 51.8 ttp . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.501 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -66.59 -58.24 10.45 Favored Pre-proline 0 CA--C 1.534 0.359 0 O-C-N 123.021 0.201 . . . . 0.0 110.614 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 2' ' ' THR . 4.3 Cg_exo -81.19 138.71 11.37 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.064 1.842 . . . . 0.0 111.099 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.72 76.59 1.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.318 0.58 . . . . 0.0 110.708 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -77.75 150.68 34.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 21.1 mtp180 -115.18 170.91 8.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.457 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.34 69.33 2.28 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.023 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' HB ' HD23 ' A' ' 10' ' ' LEU . 12.7 m -73.28 164.41 3.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.434 -0.383 . . . . 0.0 110.809 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -81.93 12.09 4.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.558 0.694 . . . . 0.0 111.839 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 24' ' ' ILE . 2.2 pt? -138.78 -155.01 0.56 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.368 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.653 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -91.45 121.2 67.81 Favored Pre-proline 0 C--N 1.307 -1.245 0 CA-C-O 120.786 0.326 . . . . 0.0 111.045 -178.432 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -82.45 157.54 16.8 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.835 2.357 . . . . 0.0 111.924 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 tt -50.4 -49.11 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.93 44.13 2.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.218 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.28 176.48 9.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.133 0.492 . . . . 0.0 111.816 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -74.36 162.62 28.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.994 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 38.7 t -131.0 161.75 31.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.784 0.802 . . . . 0.0 112.726 -178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 58.9 mtm180 -124.41 -34.73 2.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.416 -1.266 . . . . 0.0 108.635 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -161.66 146.96 13.47 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 1.9 m-20 -51.66 -40.07 59.34 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.955 0.343 . . . . 0.0 111.296 -178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.6 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 61.3 p -56.77 -36.54 69.94 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.204 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 1.4 mt-10 -66.43 -30.0 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.269 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 72.2 m -84.47 134.6 34.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 -178.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.571 ' HA ' HD11 ' A' ' 10' ' ' LEU . 6.5 tt -56.16 -34.13 38.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.027 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.656 HG21 ' HG ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -81.3 -14.22 57.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.71 -1.132 . . . . 0.0 112.324 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.6 ' HE ' ' HA ' ' A' ' 21' ' ' SER . 0.0 OUTLIER 60.93 30.29 19.53 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.048 0.451 . . . . 0.0 111.034 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 34' ' ' SER . 11.1 tp -130.36 95.11 3.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.033 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.4 65.67 6.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 HH11 ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -98.59 134.61 41.29 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -177.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.59 29.84 18.42 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.407 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 65.72 20.4 11.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.528 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -129.45 167.5 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.937 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 64.1 m -90.52 11.46 21.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.39 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.522 ' O ' HD23 ' A' ' 27' ' ' LEU . 14.4 m -51.57 145.42 8.99 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.251 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.656 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mt -81.3 -164.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.709 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.33 55.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.091 0.472 . . . . 0.0 111.038 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.4 m -111.94 22.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.452 0.644 . . . . 0.0 110.101 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.66 142.83 45.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.792 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -103.66 45.87 0.94 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.108 0.48 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.739 -179.659 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.485 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -67.85 132.69 92.3 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 8.2 Cg_exo -72.69 134.95 22.97 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.824 2.349 . . . . 0.0 111.731 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -102.91 70.32 1.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.241 0.543 . . . . 0.0 110.13 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 p90 -103.57 13.98 32.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.618 0.723 . . . . 0.0 109.95 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -115.2 52.01 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.021 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.2 109.4 0.39 Allowed Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -61.62 121.78 10.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.622 0.725 . . . . 0.0 111.439 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -165.24 -126.41 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.741 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.18 -151.24 0.08 Allowed 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -71.81 121.76 85.4 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 25.4 Cg_exo -63.65 -178.72 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.188 2.592 . . . . 0.0 113.071 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' H ' HG12 ' A' ' 13' ' ' ILE . 8.5 mm -55.0 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.178 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.81 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.861 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.14 170.48 9.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.13 0.491 . . . . 0.0 111.608 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 m -86.05 161.8 18.76 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.446 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.1 t -138.05 160.47 39.27 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -31.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 113.897 -1.501 . . . . 0.0 109.394 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -156.29 156.09 33.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 63.5 m-20 -53.37 -41.85 66.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 118.427 0.558 . . . . 0.0 111.333 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -64.04 -16.28 61.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.775 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 4.5 mm-40 -76.54 -27.62 56.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 110.123 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.7 m -97.61 145.36 26.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.755 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 tt -58.05 -35.22 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.009 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -84.93 -3.1 58.59 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 56.35 39.35 30.13 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.246 0.545 . . . . 0.0 110.495 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 tp -138.53 95.77 3.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.749 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 4.4 t -90.14 114.22 26.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.016 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.521 HH22 ' HB2' ' A' ' 40' ' ' GLU . 17.0 ttt-85 -132.6 132.05 42.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.741 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG2' ' C ' ' A' ' 29' ' ' ARG . 21.3 pttt 48.24 38.39 10.07 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.994 0.918 . . . . 0.0 111.929 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 65.46 24.61 11.91 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.227 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -140.77 170.54 15.57 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 79.1 m -84.27 154.86 22.72 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.5 m -154.36 162.49 41.13 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.107 0.48 . . . . 0.0 110.878 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.513 ' CD1' ' HA ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER -114.91 -161.26 0.77 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.28 44.79 0.35 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.325 0.583 . . . . 0.0 110.621 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.5 m -116.75 20.89 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.97 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.43 72.67 3.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.835 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -106.87 30.73 5.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.961 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HB2' HH22 ' A' ' 29' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.856 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.61 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.628 ' HB3' HD21 ' A' ' 35' ' ' LEU . 28.4 ttt . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 ' H ' ' HD2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -126.86 -58.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.56 ' HD2' ' H ' ' A' ' 2' ' ' THR . 81.6 Cg_endo -81.65 52.54 4.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.036 1.824 . . . . 0.0 112.024 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -131.85 -47.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.909 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -83.07 41.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -129.33 7.56 5.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.313 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.41 45.83 0.62 Allowed Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -122.63 159.71 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.978 0.418 . . . . 0.0 111.276 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.64 9.51 21.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.499 0.666 . . . . 0.0 111.41 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.98 -169.37 1.51 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.93 125.22 59.64 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.515 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 23.3 Cg_exo -65.39 162.83 31.94 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.574 2.183 . . . . 0.0 111.017 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 pt -61.98 -37.04 77.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.31 0.576 . . . . 0.0 110.48 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.1 47.28 3.79 Favored Glycine 0 C--N 1.317 -0.51 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.2 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.69 -179.61 7.11 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 111.663 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -81.23 162.59 23.49 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.335 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 49.0 t -125.7 163.72 22.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.942 0.877 . . . . 0.0 112.409 -178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.725 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 3.6 tpm_? -133.95 -34.25 1.01 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.408 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.5 t70 -161.36 158.44 26.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.663 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 37.3 m-20 -54.97 -42.14 72.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.911 0.778 . . . . 0.0 110.087 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.55 -25.64 66.31 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.312 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.725 ' HG3' ' HB3' ' A' ' 18' ' ' ARG . 16.2 mm-40 -67.79 -35.31 78.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.0 m -83.66 141.32 31.59 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.514 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 tt -53.07 -40.64 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.672 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.44 8.86 38.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 52.43 54.27 10.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.463 0.649 . . . . 0.0 110.968 -179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -144.94 93.63 2.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.503 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -90.24 99.9 12.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.388 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.564 HH22 ' HG2' ' A' ' 40' ' ' GLU . 18.9 mtp-105 -116.73 119.94 37.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.9 0.381 . . . . 0.0 111.86 -177.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.2 mttt 58.19 38.57 26.29 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.198 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 31' ' ' ARG . 9.0 tpt180 72.92 3.65 4.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.865 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -122.97 169.52 11.08 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 13' ' ' ILE . 66.4 m -88.85 164.86 15.01 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 m -154.47 162.99 40.86 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.709 ' HG ' ' H ' ' A' ' 36' ' ' SER . 12.9 tp -80.71 -156.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.709 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -72.84 54.52 0.37 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.306 0.574 . . . . 0.0 110.582 178.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.6 75.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.989 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.33 -24.69 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -99.93 -176.09 3.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' HG2' HH22 ' A' ' 29' ' ' ARG . 2.7 mm-40 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.448 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.516 0.198 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.49 126.7 92.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.095 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.59 83.12 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.25 2.633 . . . . 0.0 112.036 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -83.26 62.35 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.411 0.624 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.56 ' HB2' HD13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -90.55 163.96 14.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.838 179.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' H ' HD11 ' A' ' 24' ' ' ILE . 68.4 mtt180 -86.53 9.86 17.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.2 -62.74 4.22 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.64 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.93 137.32 14.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.181 0.515 . . . . 0.0 111.46 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 p 179.65 -41.55 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.53 1.157 . . . . 0.0 109.302 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 22' ' ' GLU . 53.0 mt -141.14 -155.78 0.62 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.102 -1.863 . . . . 0.0 108.509 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -71.64 127.81 90.51 Favored Pre-proline 0 C--N 1.313 -1.02 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.028 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 31.2 Cg_exo -59.67 166.54 8.01 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.065 2.51 . . . . 0.0 113.434 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 1.4 mt -55.43 -67.58 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.806 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.55 42.83 1.29 Allowed Glycine 0 C--N 1.316 -0.564 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.093 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.19 -179.53 4.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 111.378 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.9 m -83.99 158.95 21.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.108 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.5 t -126.22 159.34 33.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.57 0.7 . . . . 0.0 112.079 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.703 ' HB2' ' HG3' ' A' ' 22' ' ' GLU . 64.2 mtm180 -131.75 -27.95 1.85 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.511 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 12.1 t70 -165.89 157.09 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.583 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.5 m-20 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 119.301 0.955 . . . . 0.0 110.432 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -62.6 -22.73 66.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.985 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.703 ' HG3' ' HB2' ' A' ' 18' ' ' ARG . 8.0 mm-40 -73.45 -31.5 63.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 92.8 m -84.94 139.26 31.96 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.095 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.565 HD11 ' H ' ' A' ' 6' ' ' ARG . 9.2 tt -55.82 -34.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.617 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -0.51 57.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.315 0.858 . . . . 0.0 113.315 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.583 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.1 tpp180 59.08 40.33 22.15 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.068 0.461 . . . . 0.0 110.791 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 38' ' ' ALA . 2.3 tt -137.65 94.49 2.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.026 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -91.26 108.34 19.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.623 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 49.1 ttt180 -131.95 133.62 44.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.517 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 56.64 31.02 18.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.836 0.855 . . . . 0.0 112.01 179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 68.22 20.3 8.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.409 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 mpt_? -140.34 165.79 26.47 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 99.4 m -83.65 162.08 20.88 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.463 ' HB3' HG23 ' A' ' 37' ' ' VAL . 67.2 m -162.33 166.5 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.59 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 27' ' ' LEU . 8.4 tp -86.96 -147.75 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.478 ' H ' ' HG ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -71.67 65.02 0.47 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.019 0.438 . . . . 0.0 110.642 178.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -144.27 83.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.327 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.533 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -117.13 -27.73 6.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.615 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' H ' ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -103.05 -25.77 13.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.524 0.678 . . . . 0.0 109.288 -179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.7 pm0 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.183 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -56.61 26.94 Favored Pre-proline 0 CA--C 1.537 0.459 0 O-C-N 123.291 0.37 . . . . 0.0 111.145 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.727 ' HB2' ' HD1' ' A' ' 5' ' ' TRP . 57.8 Cg_endo -72.57 126.97 11.97 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.504 1.469 . . . . 0.0 111.644 178.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -89.0 67.66 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.367 0.603 . . . . 0.0 110.775 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.727 ' HD1' ' HB2' ' A' ' 3' ' ' PRO . 14.5 m95 -74.41 143.83 44.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.346 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -75.64 155.25 36.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.48 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.51 75.18 2.0 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.497 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.732 HG11 HD12 ' A' ' 24' ' ' ILE . 6.0 m -61.04 166.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 114.972 -0.614 . . . . 0.0 111.843 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -77.74 18.89 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.67 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' A' ' 24' ' ' ILE . 2.2 pt? -147.55 -155.74 0.65 Allowed 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -90.99 117.3 67.81 Favored Pre-proline 0 C--N 1.31 -1.137 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 5.1 Cg_exo -75.22 -163.61 0.2 Allowed 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.131 2.554 . . . . 0.0 111.222 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 tt -65.04 -55.19 21.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.87 44.87 2.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.215 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -123.16 173.77 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.183 0.516 . . . . 0.0 112.271 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 3.6 m -90.17 163.22 14.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.854 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.1 t -129.31 157.4 41.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.19 0.995 . . . . 0.0 113.67 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 7.1 tmm_? -130.29 -34.52 1.62 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.583 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -156.32 151.98 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 13.2 m-20 -54.73 -36.97 65.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 119.009 0.822 . . . . 0.0 110.746 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.03 -21.57 66.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.2 mm-40 -71.74 -28.57 63.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 110.095 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.81 135.92 38.09 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.309 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.732 HD12 HG11 ' A' ' 8' ' ' VAL . 10.5 tt -52.89 -38.32 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.219 -0.901 . . . . 0.0 112.602 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -3.39 58.81 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 46.2 ttt85 52.78 58.48 5.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.395 0.617 . . . . 0.0 111.269 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER -148.61 89.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.0 79.93 7.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.149 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -110.51 134.86 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.519 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm 63.45 28.05 15.31 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.712 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 5.3 tpt180 63.31 20.71 12.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.084 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 40.8 mtp180 -140.33 167.75 21.42 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 56.5 m -79.01 157.77 28.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.043 0.449 . . . . 0.0 110.426 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m -156.48 168.92 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 27' ' ' LEU . 88.5 mt -77.31 -161.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -74.65 37.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.116 0.484 . . . . 0.0 111.077 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.453 ' H ' ' C ' ' A' ' 35' ' ' LEU . 2.2 m -89.39 64.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.816 0.817 . . . . 0.0 109.894 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.47 -20.06 48.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.756 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.45 2.54 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 110.509 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.137 -179.197 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.458 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -70.14 128.95 91.14 Favored Pre-proline 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.364 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 10.6 Cg_exo -72.98 85.69 1.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 123.043 2.495 . . . . 0.0 111.323 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -77.48 -50.32 12.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.449 ' HB2' ' HB3' ' A' ' 12' ' ' PRO . 2.7 m-90 -80.2 119.72 23.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -139.88 -175.55 4.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.539 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.86 -46.62 0.7 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.67 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 HD11 ' A' ' 10' ' ' LEU . 2.3 p -149.2 155.44 8.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.25 97.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.183 0.516 . . . . 0.0 112.348 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' CD1' ' HB ' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -175.05 -156.79 0.06 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' NH2' ' HB2' ' A' ' 22' ' ' GLU . 8.8 ttp180 -90.16 131.59 38.37 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-O 120.562 0.22 . . . . 0.0 111.163 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HB3' ' HB2' ' A' ' 5' ' ' TRP . 17.1 Cg_exo -67.65 173.21 9.31 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.438 2.758 . . . . 0.0 113.281 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 3.8 mm -59.62 -59.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.884 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.28 35.27 0.79 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 114.508 0.563 . . . . 0.0 114.508 -178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.62 173.09 6.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.506 0.653 . . . . 0.0 111.657 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.815 ' HA ' ' HG2' ' A' ' 32' ' ' ARG . 4.6 m -78.15 -176.68 4.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.004 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 41.1 t -159.42 164.38 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.877 0.846 . . . . 0.0 112.848 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 mmt180 -132.66 -37.85 1.03 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.984 -1.462 . . . . 0.0 107.947 177.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -147.08 141.6 26.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.606 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.32 -34.95 62.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.966 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.549 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 6.9 m -59.67 -23.94 63.49 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.582 ' HB2' ' NH2' ' A' ' 11' ' ' ARG . 2.0 mt-10 -87.93 -12.18 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 90.5 m -97.95 138.34 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.845 0.355 . . . . 0.0 111.428 -178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.607 ' HB ' ' CD1' ' A' ' 10' ' ' LEU . 8.1 tt -53.25 -37.81 29.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.702 178.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -14.53 59.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' ' 21' ' ' SER . 4.9 tpt180 61.38 28.38 17.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.261 0.553 . . . . 0.0 110.312 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -135.04 105.66 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.329 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -90.2 65.73 6.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.75 0.786 . . . . 0.0 109.444 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -83.18 127.67 33.82 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.826 -178.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 58.88 33.25 22.93 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.463 0.649 . . . . 0.0 109.872 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 31' ' ' ARG . 6.1 tpp180 60.78 29.64 19.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.669 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.815 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 9.6 mtt180 -135.94 174.35 10.71 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.329 -0.85 . . . . 0.0 108.905 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 72.6 m -87.74 17.91 4.42 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.404 0.621 . . . . 0.0 111.585 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.8 137.97 9.1 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.753 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -82.51 -165.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.307 179.591 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.83 54.34 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.113 0.482 . . . . 0.0 111.711 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG13 ' HG ' ' A' ' 35' ' ' LEU . 1.9 m -93.85 40.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.436 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 172.71 11.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.09 54.6 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.444 -178.75 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.482 1.164 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -78.25 120.27 80.49 Favored Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 123.375 0.422 . . . . 0.0 110.982 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 2' ' ' THR . 5.4 Cg_exo -77.38 75.29 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.951 2.434 . . . . 0.0 111.614 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -57.62 -33.03 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.479 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' HE3' HD13 ' A' ' 24' ' ' ILE . 23.8 m95 -72.9 -4.45 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.514 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -122.88 9.8 9.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.833 0.349 . . . . 0.0 110.381 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.54 46.75 1.49 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.69 HG13 ' H ' ' A' ' 10' ' ' LEU . 9.9 p -145.73 164.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -94.14 19.53 9.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.404 0.621 . . . . 0.0 110.761 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.69 ' H ' HG13 ' A' ' 8' ' ' VAL . 96.3 mt -120.95 -165.52 1.23 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.686 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtt-85 -90.89 140.76 26.27 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.102 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.81 159.59 38.27 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.668 2.246 . . . . 0.0 111.327 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.441 ' H ' HG23 ' A' ' 13' ' ' ILE . 2.5 pt -55.57 -38.51 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 121.399 0.618 . . . . 0.0 111.263 -179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.43 40.42 2.4 Favored Glycine 0 C--N 1.317 -0.5 0 CA-C-N 115.592 -0.731 . . . . 0.0 113.196 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.53 -178.03 5.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.274 0.537 . . . . 0.0 111.965 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.8 m -87.05 161.02 18.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.888 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 18' ' ' ARG . 42.1 t -135.57 165.25 25.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.628 0.728 . . . . 0.0 112.374 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 33.1 mtp-105 -134.85 -31.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.094 178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -151.76 143.86 23.91 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 4.1 m-20 -53.46 -38.99 64.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.094 0.406 . . . . 0.0 111.348 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -64.3 -17.92 64.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.507 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.62 -13.91 57.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.367 . . . . 0.0 110.683 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 77.4 m -103.01 144.9 30.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 111.174 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.614 ' HB ' HG11 ' A' ' 8' ' ' VAL . 8.6 tt -57.15 -37.14 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.134 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.679 HG21 ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -82.79 -9.35 59.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.186 -179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.708 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 54.69 39.41 31.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.269 0.557 . . . . 0.0 110.539 -178.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.782 ' HG ' ' HG2' ' A' ' 29' ' ' ARG . 18.8 tp -135.24 97.68 3.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.388 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.7 t -87.79 75.8 8.86 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.76 0.79 . . . . 0.0 110.251 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.782 ' HG2' ' HG ' ' A' ' 27' ' ' LEU . 8.7 mmm180 -93.12 122.5 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.208 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 58.52 37.67 25.51 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.099 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 63.06 25.32 14.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -134.28 168.81 18.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.653 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.61 13.93 6.35 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.298 0.57 . . . . 0.0 111.52 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -43.19 138.63 2.15 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.859 179.516 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.679 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER -80.72 -158.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.553 178.48 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.69 42.09 0.1 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.141 0.496 . . . . 0.0 111.372 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 m -132.02 19.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.204 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -115.42 56.23 0.76 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.236 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 33.7 tt0 -150.75 143.37 24.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.857 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--O 1.254 1.311 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.371 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 13.3 ttt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.86 114.27 60.12 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 123.259 0.349 . . . . 0.0 110.555 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HB2' HD22 ' A' ' 35' ' ' LEU . 61.3 Cg_endo -78.46 147.08 22.34 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.384 2.056 . . . . 0.0 112.233 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.21 72.8 0.81 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.405 ' CZ3' ' HG2' ' A' ' 3' ' ' PRO . 24.8 p90 -86.17 21.49 2.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.116 0.484 . . . . 0.0 111.076 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -138.61 119.41 14.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.293 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 -96.2 0.15 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.782 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 10' ' ' LEU . 2.1 p -72.36 148.84 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.818 0.342 . . . . 0.0 110.772 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -89.36 110.58 21.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.096 0.474 . . . . 0.0 111.881 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 24' ' ' ILE . 2.0 pt? -167.22 -148.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -79.73 117.35 66.84 Favored Pre-proline 0 C--N 1.314 -0.945 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.584 -178.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 8.0 Cg_exo -73.42 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.236 2.624 . . . . 0.0 111.916 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.587 HD13 HD11 ' A' ' 35' ' ' LEU . 2.2 mt -63.21 -69.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 45.75 1.15 Allowed Glycine 0 C--N 1.316 -0.566 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.361 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -117.82 169.39 9.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.206 0.527 . . . . 0.0 111.594 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 m -87.58 155.03 20.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.203 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.4 t -124.92 160.28 29.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.054 0.931 . . . . 0.0 113.15 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -134.9 -35.14 0.87 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.809 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -154.11 152.57 30.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.574 ' O ' ' HA ' ' A' ' 26' ' ' ARG . 11.2 m-20 -52.91 -38.46 61.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 118.867 0.758 . . . . 0.0 111.216 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -63.15 -20.36 65.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.1 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 5.4 mm-40 -70.47 -29.51 66.08 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.097 0.475 . . . . 0.0 110.055 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.8 139.6 33.43 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.344 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.452 ' HA ' HD11 ' A' ' 10' ' ' LEU . 20.1 tt -51.89 -42.28 32.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.062 -0.972 . . . . 0.0 113.17 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.88 0.25 40.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 55.14 46.18 24.47 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.089 0.471 . . . . 0.0 110.649 -179.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD22 ' HB2' ' A' ' 34' ' ' SER . 1.4 tt -137.3 96.18 3.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.828 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 3.8 t -89.38 101.6 14.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.081 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 14.6 ttt180 -118.26 124.73 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.493 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER 49.58 36.95 11.38 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.069 0.947 . . . . 0.0 112.295 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 70.24 21.59 5.81 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.575 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -137.36 170.68 15.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 61.6 m -90.27 155.7 18.8 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.042 0.448 . . . . 0.0 109.959 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.424 ' HB2' HD22 ' A' ' 27' ' ' LEU . 67.7 m -154.96 164.47 38.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.231 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.587 HD11 HD13 ' A' ' 13' ' ' ILE . 68.8 mt -101.2 -158.93 0.7 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 1.8 m -73.04 69.06 0.97 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.318 0.58 . . . . 0.0 109.88 178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.89 89.59 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.165 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.71 55.86 0.68 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.852 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -133.6 117.78 17.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 5.8 tp10 . . . . . 0 C--O 1.257 1.448 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.043 -178.776 . . . . . . . . 1 1 . 1 stop_ save_