data_6o3s_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6o3s _Structure_validation_residue.Date_analyzed 2019-04-19 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo . . . . . 0 N--CA 1.491 1.337 0 N-CA-C 113.913 0.697 . . . . 0.0 113.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -106.52 -22.78 12.68 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.158 0.504 . . . . 0.0 111.254 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -48.36 -49.15 35.65 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.75 -41.35 97.56 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.627 0.648 . . . . 0.0 111.163 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -71.26 -51.01 26.93 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.748 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.53 -51.16 70.63 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.18 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.42 71.57 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -65.01 -45.1 86.95 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -65.6 -42.08 92.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.952 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.17 -46.35 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -54.92 -54.37 43.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.377 0.671 . . . . 0.0 109.718 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 70.8 m -73.32 -15.44 61.39 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.718 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -77.39 -38.18 50.42 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.07 -53.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.18 59.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.546 ' OE1' ' HD3' ' A' ' 25' ' ' ARG . 18.7 mm-40 -93.42 -61.44 1.56 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.704 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 54.82 85.42 0.06 Allowed 'General case' 0 C--O 1.251 1.174 0 C-N-CA 123.926 0.89 . . . . 0.0 111.252 -175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.95 147.56 6.08 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.0 t -64.56 -48.45 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.16 0.48 . . . . 0.0 111.773 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.16 -43.17 99.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.568 0.699 . . . . 0.0 110.107 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 55.9 mtt-85 -70.92 -32.97 70.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.279 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.69 -42.92 90.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 65.4 mtp180 -57.97 -47.22 83.59 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.586 0.554 . . . . 0.0 109.804 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.35 -55.35 34.49 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 124.127 0.892 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.23 -44.47 96.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.793 0.683 . . . . 0.0 110.921 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.45 -48.79 79.54 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.309 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.75 -40.23 75.41 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.14 -45.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 119.469 -0.892 . . . . 0.0 111.159 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -73.03 -31.87 64.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.64 -38.89 77.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.86 -43.56 71.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -55.43 -44.98 76.8 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.28 0.363 . . . . 0.0 110.521 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.09 -56.56 17.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.714 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.71 -40.15 96.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.996 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.63 -34.52 69.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.124 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -71.2 -52.91 16.47 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 123.186 0.304 . . . . 0.0 110.271 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 . . . . . 0 C--N 1.316 -0.869 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.843 -179.652 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--O 1.237 0.467 0 CA-C-O 121.057 0.357 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 15.4 ptm180 -56.51 -22.64 34.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.988 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -56.56 -44.22 80.72 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 123.295 0.638 . . . . 0.0 111.422 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.11 -39.04 92.57 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.0 0.905 . . . . 0.0 109.817 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -66.99 -46.42 74.64 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.143 -1.39 . . . . 0.0 111.21 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.6 mt-10 -70.74 -36.18 73.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.89 92.85 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 28.9 t -57.55 -41.56 81.22 Favored 'General case' 0 C--O 1.246 0.893 0 C-N-CA 123.519 0.727 . . . . 0.0 111.115 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 50.1 mtm180 -65.19 -54.18 33.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.475 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.16 -36.48 77.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -54.08 -52.66 60.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.995 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.1 m -67.35 -27.31 67.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.709 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 23.8 mt-30 -64.93 -37.95 89.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -87.94 -57.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.594 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -49.28 22.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 23.3 mm-40 -75.55 -48.27 23.16 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.12 -177.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 62.38 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.876 1.271 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.15 154.01 6.57 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.41 -54.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.378 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -30.01 70.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.774 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -57.47 -50.47 72.93 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.192 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.83 -44.99 83.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.434 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 16.9 mmt180 -62.37 -37.37 85.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.527 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 32' ' ' VAL . 37.3 ttm180 -70.09 -39.75 75.38 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.665 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.36 -38.84 88.41 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 53.1 tp60 -55.29 -54.37 44.42 Favored 'General case' 0 C--O 1.196 -1.72 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 25.0 mt-30 -55.62 -50.25 70.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.702 0.626 . . . . 0.0 111.742 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 28' ' ' ARG . 48.7 t -65.28 -49.53 78.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.148 0.499 . . . . 0.0 111.209 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.38 -26.35 60.05 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.58 -40.38 66.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.36 -42.25 99.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -67.28 -35.81 80.25 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.78 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.3 -40.75 98.23 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -65.35 -27.99 68.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.161 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.73 -42.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -66.91 -38.6 86.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.44 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--O 1.235 0.302 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.843 174.261 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 CA--C 1.536 0.614 0 N-CA-C 113.904 0.694 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -67.38 -39.74 85.66 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -73.19 -29.71 63.02 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.375 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.12 -44.16 97.77 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.58 -46.27 83.43 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.853 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.43 -47.4 85.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.63 76.41 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.081 0.552 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.34 -38.8 90.89 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 55.3 mtp180 -66.84 -50.56 62.18 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.488 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.22 -38.73 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.788 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -53.18 -54.55 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.538 0.735 . . . . 0.0 109.926 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.35 -30.58 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 78.8 mt-30 -61.79 -30.5 70.85 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.067 0.46 . . . . 0.0 111.131 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.41 -55.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.48 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.18 -59.44 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 15.5 mm-40 -71.74 -50.15 32.71 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.112 0.257 . . . . 0.0 110.424 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 54.52 84.83 0.06 Allowed 'General case' 0 C--O 1.244 0.797 0 C-N-CA 124.605 1.162 . . . . 0.0 111.627 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.79 143.95 4.03 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.41 -46.65 85.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 123.925 0.89 . . . . 0.0 112.657 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.77 -55.32 35.68 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 82.7 mtt180 -70.12 -29.76 66.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.41 -176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.66 -49.24 66.83 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -61.74 -39.01 90.09 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.688 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -58.49 -59.01 6.03 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.368 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.2 m -60.24 -45.23 93.97 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.78 -47.33 74.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.568 0.347 . . . . 0.0 111.22 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.15 -39.62 93.24 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.461 0.475 . . . . 0.0 110.785 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.27 -47.01 82.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.355 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.51 -33.76 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.45 0.3 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.75 -43.7 83.43 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.653 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -65.22 -41.5 94.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.397 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.0 -42.39 99.09 Favored 'General case' 0 C--O 1.208 -1.121 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.492 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.64 -43.45 98.84 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.237 0.615 . . . . 0.0 110.492 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -60.34 -42.96 96.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.834 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -80.47 -26.32 38.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.63 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -57.71 -57.54 12.29 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 124.153 0.981 . . . . 0.0 108.95 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.44 -0.951 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.828 179.097 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo . . . . . 0 N--CA 1.475 0.424 0 N-CA-C 115.086 1.148 . . . . 0.0 115.086 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -91.69 -21.7 20.62 Favored 'General case' 0 CA--C 1.479 -1.775 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.685 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -67.73 -45.82 73.93 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.971 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.14 -44.33 95.03 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.422 1.106 . . . . 0.0 108.741 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.52 ' CD1' HD21 ' A' ' 37' ' ' LEU . 39.0 t80 -63.87 -55.29 23.86 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 113.848 -1.524 . . . . 0.0 112.186 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 13' ' ' ARG . 8.4 tp10 -67.01 -39.14 87.0 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.137 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.93 76.6 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 51.5 t -65.76 -41.01 92.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.869 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD3' ' OE2' ' A' ' 10' ' ' GLU . 51.6 mtp180 -66.63 -46.29 76.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.25 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.57 -45.05 98.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.05 -54.58 43.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 111.05 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.32 -26.03 62.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.72 -28.34 69.52 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.73 -60.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.97 -53.54 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.33 -50.2 41.52 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.431 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.1 t60 58.62 73.95 0.46 Allowed 'General case' 0 C--O 1.244 0.786 0 O-C-N 124.468 1.105 . . . . 0.0 110.514 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.59 137.52 2.38 Favored Glycine 0 N--CA 1.43 -1.751 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 61.4 t -60.32 -50.54 79.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 C-N-CA 123.224 0.61 . . . . 0.0 110.956 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 35.1 tt0 -57.6 -50.35 73.43 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.807 0.843 . . . . 0.0 110.042 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -62.63 -40.11 95.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 53.3 tt0 -67.4 -43.7 80.68 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.444 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 22.2 mtm180 -64.68 -34.38 78.17 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.179 0.299 . . . . 0.0 110.513 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 20.3 mmm180 -58.6 -47.76 83.23 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.226 175.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.3 m -60.48 -47.88 84.21 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.106 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 25.0 mt-30 -60.46 -39.89 89.23 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.159 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.16 -45.67 84.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 117.915 0.325 . . . . 0.0 111.177 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.78 -43.59 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.638 0.732 . . . . 0.0 110.142 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.7 m -75.29 -17.52 60.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.011 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 40.7 tt0 -73.03 -34.0 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.89 -49.93 68.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.82 -38.11 77.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 9' ' ' TYR . 41.4 tp -55.62 -60.12 3.88 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.336 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -67.94 -36.98 81.06 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.174 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -65.34 -46.99 78.04 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.342 0.401 . . . . 0.0 111.674 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.59 -40.12 88.76 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.774 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 13.0 pt-20 . . . . . 0 C--O 1.21 -0.988 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.108 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo . . . . . 0 N--CA 1.488 1.177 0 N-CA-C 113.538 0.553 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 14.0 ptt180 -60.4 -18.42 50.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.856 0.462 . . . . 0.0 111.193 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -60.19 -29.92 69.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.749 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.01 -42.54 99.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.87 0.843 . . . . 0.0 109.264 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 13.3 t80 -64.2 -46.78 82.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.824 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -64.05 -44.85 91.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.054 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.67 88.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.311 0.577 . . . . 0.0 110.548 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -67.0 -39.28 87.07 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.865 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -63.78 -50.38 69.26 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.03 -26.84 30.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.469 0.652 . . . . 0.0 111.355 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.21 -46.44 89.72 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.06 -22.93 63.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.663 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -65.96 -41.89 90.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.85 -36.44 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.76 -56.37 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.28 -57.19 4.04 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 56.66 96.22 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 112.749 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.24 152.63 7.04 Favored Glycine 0 CA--C 1.494 -1.238 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.91 -55.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 117.319 0.559 . . . . 0.0 111.859 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -68.41 -22.94 64.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -77.24 -42.91 35.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.49 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.1 -46.79 82.66 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.053 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.58 -45.21 89.52 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 123.963 0.789 . . . . 0.0 110.354 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -57.73 -54.76 43.24 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.897 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.38 -35.46 75.76 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.164 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.23 -44.3 92.34 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 121.296 -0.162 . . . . 0.0 110.837 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -72.19 -45.09 61.78 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.079 0.466 . . . . 0.0 110.511 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.92 -43.54 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.187 0.517 . . . . 0.0 111.343 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.1 m -72.0 -20.96 61.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 122.081 -0.387 . . . . 0.0 111.005 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.31 -31.67 48.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -67.96 -38.73 83.13 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.18 -41.51 97.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.707 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 9' ' ' TYR . 3.4 tm? -64.72 -38.35 90.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.376 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -64.06 -28.89 70.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.986 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 26.4 mm-40 -75.67 -48.0 23.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -52.81 -49.97 64.6 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.527 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.312 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 N--CA 1.449 -1.116 0 N-CA-C 114.374 0.874 . . . . 0.0 114.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.15 -35.53 80.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.7 p -68.51 -51.23 45.43 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 123.142 0.276 . . . . 0.0 111.46 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.03 -37.28 86.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 122.98 0.512 . . . . 0.0 111.405 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -65.84 -51.69 56.73 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.696 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.18 -33.38 73.28 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.505 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.96 88.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -58.4 -40.81 83.44 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -70.03 -45.72 66.56 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.85 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 18' ' ' VAL . 62.0 t -67.97 -37.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.282 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.36 -51.27 68.92 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.1 m -73.3 -25.7 60.76 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.1 -37.86 81.65 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 120.758 0.313 . . . . 0.0 110.427 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -94.25 -41.92 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.77 -46.83 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.892 -0.505 . . . . 0.0 112.169 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 7.5 mm-40 -79.62 -54.13 6.17 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 64.44 90.18 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.519 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.75 127.89 0.91 Allowed Glycine 0 N--CA 1.423 -2.226 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -52.22 -43.14 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.687 0.795 . . . . 0.0 111.494 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 11.4 pt-20 -58.01 -50.64 72.71 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.441 0.463 . . . . 0.0 111.417 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 66.8 mtt180 -74.07 -34.3 63.98 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.91 -44.67 94.16 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.46 -43.72 80.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.5 mmt180 -56.84 -47.45 80.3 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 122.558 0.343 . . . . 0.0 111.329 177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.17 -49.31 76.31 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 123.798 0.687 . . . . 0.0 110.653 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.2 -46.45 85.79 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.531 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -52.56 -51.71 58.43 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 123.669 0.606 . . . . 0.0 110.753 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 99.5 t -71.64 -48.79 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.554 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.99 -31.52 72.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.55 -38.38 59.29 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.3 tttm -61.99 -53.23 58.47 Favored 'General case' 0 N--CA 1.423 -1.814 0 O-C-N 123.313 0.383 . . . . 0.0 110.4 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 22.0 mtm180 -59.04 -36.98 75.92 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.491 0.662 . . . . 0.0 110.336 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.8 tm? -62.35 -52.34 64.03 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -61.13 -37.71 83.8 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.494 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 70.2 mm-40 -59.78 -43.96 94.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.473 0.654 . . . . 0.0 110.462 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -72.2 -24.41 61.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.032 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 24.4 mm-40 . . . . . 0 C--N 1.31 -1.15 0 CA-C-O 121.138 0.494 . . . . 0.0 109.692 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo . . . . . 0 N--CA 1.478 0.571 0 N-CA-C 112.993 0.343 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -58.72 -32.83 69.56 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.956 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -60.62 -43.99 96.83 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.498 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.73 -47.13 73.26 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.972 0.892 . . . . 0.0 109.287 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 37' ' ' LEU . 16.9 t80 -62.69 -49.17 76.18 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.277 -1.328 . . . . 0.0 112.053 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.96 -40.21 94.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.52 72.78 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.984 0.421 . . . . 0.0 110.291 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.48 -45.91 78.09 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -66.03 -47.53 74.12 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.684 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.94 -37.82 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.225 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -57.04 -48.9 77.41 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 84.7 m -71.1 -29.0 64.72 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.234 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.69 -40.48 95.45 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.055 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.73 -44.63 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.72 -42.74 17.67 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 17.1 mm-40 -77.43 -56.81 4.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 t60 71.1 -43.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.02 1.328 . . . . 0.0 112.952 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.27 141.4 45.8 Favored Glycine 0 N--CA 1.448 -0.524 0 O-C-N 123.048 0.218 . . . . 0.0 112.703 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.23 -32.98 55.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 123.008 0.523 . . . . 0.0 111.251 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.64 -41.61 65.29 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -63.23 -44.85 94.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.025 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.95 -32.44 73.69 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -64.43 -37.06 86.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.14 -48.25 68.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.9 m -59.71 -44.6 93.63 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -54.47 -47.07 73.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -53.39 55.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.716 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.95 -44.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.38 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.57 -31.94 71.5 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.337 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.6 -41.68 79.24 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -59.9 -47.38 86.01 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.825 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.38 -44.22 84.29 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.647 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 67.7 tp -62.88 -49.65 74.0 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 123.611 0.569 . . . . 0.0 110.593 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.78 -30.89 71.6 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.85 -29.76 32.37 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.963 -0.46 . . . . 0.0 110.74 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -65.01 -43.52 92.23 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.436 -1.171 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 178.055 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.542 0.906 0 CA-C-O 120.747 0.228 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -54.96 -41.16 70.8 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.106 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -67.84 -30.88 70.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 22.5 mm-40 -66.85 -44.75 80.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.36 -42.55 79.03 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.484 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.1 -49.75 68.79 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.693 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.62 74.4 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.738 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -56.8 -44.12 81.61 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.55 0.691 . . . . 0.0 109.71 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -70.33 -46.3 64.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.22 -42.37 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.259 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -55.29 -43.87 75.17 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.881 0.472 . . . . 0.0 110.893 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -70.03 -32.06 70.02 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -68.2 -42.59 79.66 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.359 0.599 . . . . 0.0 109.768 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.64 -54.75 14.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.025 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.85 -49.41 8.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.54 -52.05 11.53 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.225 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.5 t60 59.2 103.45 0.02 OUTLIER 'General case' 0 C--O 1.248 1.005 0 C-N-CA 125.326 1.45 . . . . 0.0 112.299 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.6 4.01 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.34 -52.53 54.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -60.04 -42.3 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.447 0.641 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.03 -42.31 89.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.406 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -69.97 -39.73 75.81 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 123.077 0.551 . . . . 0.0 110.254 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.72 -38.77 91.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.175 0.59 . . . . 0.0 109.846 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' HG21 ' A' ' 32' ' ' VAL . 32.3 tpt180 -65.8 -51.97 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.606 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.45 -44.69 84.95 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.23 -31.8 71.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.153 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -71.13 -39.94 71.71 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 28' ' ' ARG . 58.9 t -67.12 -48.16 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.107 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.33 -39.43 87.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.54 -40.99 89.37 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.556 0.694 . . . . 0.0 109.586 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -65.36 -49.66 68.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.49 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -65.71 -33.54 76.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.4 tm? -64.61 -43.51 93.51 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.39 -39.84 81.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -38.95 85.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 8' ' ' GLU . 34.2 ttt180 -65.1 -33.5 76.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.22 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 44.2 mt-10 . . . . . 0 N--CA 1.474 0.727 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.402 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.445 -1.362 0 CA-C-O 120.861 0.275 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.75 -29.0 64.03 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.151 0.501 . . . . 0.0 110.331 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -72.94 -34.89 66.83 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.396 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.63 -47.13 79.68 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.562 0.696 . . . . 0.0 109.143 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -62.9 -41.86 99.58 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.696 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.93 -42.57 89.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.357 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.78 80.96 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.097 0.559 . . . . 0.0 110.621 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 40.6 t -56.58 -41.38 76.86 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.244 0.545 . . . . 0.0 110.939 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.41 -48.49 67.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.271 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.37 -39.82 85.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.948 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 95.1 m -74.34 -21.5 59.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.25 -43.51 98.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.37 -41.44 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.602 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.73 39.07 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 28.5 mm-40 -81.16 -47.56 13.29 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 60.82 81.05 0.2 Allowed 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.67 143.8 3.92 Favored Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.029 -1.629 . . . . 0.0 109.029 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.49 -49.34 81.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 117.132 0.466 . . . . 0.0 111.765 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.51 -41.36 76.15 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.812 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -65.0 -36.64 85.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.114 0.483 . . . . 0.0 111.282 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.35 -44.23 68.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.8 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -71.44 -26.81 62.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.908 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 32' ' ' VAL . 27.5 tpt180 -59.8 -51.65 68.81 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 72.8 m -60.12 -46.21 90.4 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.314 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -51.36 -49.11 62.1 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.677 0.611 . . . . 0.0 110.622 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.0 -44.66 65.45 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.894 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 28' ' ' ARG . 96.9 t -62.46 -47.2 94.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.187 0.518 . . . . 0.0 110.282 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -69.06 -28.53 66.62 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.347 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.66 -42.07 82.77 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 40.2 ttmt -59.67 -54.68 43.59 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.444 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.28 -35.99 72.61 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.171 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.21 -45.71 90.41 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -71.18 -35.94 71.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.958 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 17.5 mm-40 -62.52 -38.0 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -64.82 -37.98 89.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.608 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.31 -1.148 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.754 -179.145 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.876 -0.471 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -81.44 -44.68 17.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.538 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.3 p -69.77 -32.66 71.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -56.56 -48.89 76.35 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.306 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.2 t80 -67.93 -49.6 60.89 Favored 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.718 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.72 -50.8 69.36 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.785 0.678 . . . . 0.0 111.095 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.48 90.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.596 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.34 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.5 -48.58 39.45 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.951 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 18' ' ' VAL . 96.2 t -60.9 -44.91 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 122.33 0.252 . . . . 0.0 111.162 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.312 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 m -67.3 -36.27 81.15 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.508 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.82 -27.66 66.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.401 0.619 . . . . 0.0 110.107 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' VAL . 62.9 t -80.77 -48.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.994 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.41 -43.91 14.22 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.11 -55.54 4.69 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 62.25 94.2 0.05 OUTLIER 'General case' 0 C--O 1.249 1.026 0 C-N-CA 124.816 1.246 . . . . 0.0 111.297 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.98 5.84 Favored Glycine 0 C--N 1.298 -1.528 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.3 t -72.1 -40.72 67.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 117.337 0.568 . . . . 0.0 110.618 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.87 -38.62 83.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -72.22 -32.91 67.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.403 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.62 -45.49 92.61 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 91.4 mtt180 -54.23 -36.01 63.06 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.682 0.793 . . . . 0.0 111.545 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.95 -60.03 3.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.77 -42.49 97.6 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.0 -40.52 73.49 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.417 0.687 . . . . 0.0 111.073 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -74.02 -36.43 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 111.135 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.21 -46.2 84.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.7 m -63.28 -42.04 99.06 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.47 -40.68 97.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.21 0.604 . . . . 0.0 110.127 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' HZ1' ' HB2' ' A' ' 35' ' ' LYS . 4.9 ttmp? -64.41 -44.58 90.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.138 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -73.51 -27.91 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.69 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 9' ' ' TYR . 1.7 tt -59.29 -50.64 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -62.15 -36.68 82.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.29 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.2 mt-10 -68.25 -47.11 68.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.371 0.605 . . . . 0.0 110.475 176.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.192 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.216 -0.709 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.752 176.397 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.237 0.469 0 CA-C-O 120.825 0.26 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.71 -43.41 89.2 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.486 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -66.06 -34.78 78.85 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.861 0.839 . . . . 0.0 109.597 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.511 ' CD2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.45 -39.21 85.37 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.937 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.44 -45.0 96.14 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.64 91.52 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.888 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 44.2 t -57.29 -39.19 75.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.133 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 47.8 mtm180 -68.41 -54.83 14.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.414 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.28 -38.67 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 111.327 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -61.63 -43.86 98.07 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.5 m -75.43 -17.62 60.12 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -70.0 -35.59 74.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.609 0.719 . . . . 0.0 109.124 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.03 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.552 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.31 67.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 24.8 mm-40 -91.13 -54.02 4.12 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.4 t60 72.49 -47.37 0.67 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.548 1.539 . . . . 0.0 112.009 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.81 135.9 51.31 Favored Glycine 0 N--CA 1.44 -1.081 0 O-C-N 123.602 0.564 . . . . 0.0 112.224 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.07 -46.7 80.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 123.634 0.773 . . . . 0.0 111.635 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.4 -42.05 88.43 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.015 0.436 . . . . 0.0 110.716 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 28' ' ' ARG . 37.3 mmt180 -69.2 -38.21 78.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.974 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.49 -40.77 85.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -58.16 -37.97 75.74 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.726 0.81 . . . . 0.0 110.304 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 30.4 tpt180 -58.62 -48.68 80.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.674 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 79.0 m -63.89 -47.39 80.82 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.251 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.07 -25.66 67.82 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.429 0.692 . . . . 0.0 112.203 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.36 -55.7 4.17 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -41.89 83.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.2 m -70.96 -28.95 64.84 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 122.102 -0.374 . . . . 0.0 111.211 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.27 -27.28 35.2 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.045 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -62.4 -43.66 98.3 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -70.28 -33.25 71.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.566 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 9' ' ' TYR . 31.2 tp -60.16 -53.23 60.25 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HD3' ' OE2' ' A' ' 41' ' ' GLU . 12.5 tpp180 -56.13 -44.1 78.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.196 1.398 . . . . 0.0 111.377 -176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -75.34 -27.75 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.09 -41.27 50.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.462 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 38' ' ' ARG . 23.2 pt-20 . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.079 0.466 . . . . 0.0 110.403 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.48 0.734 0 N-CA-C 114.144 0.786 . . . . 0.0 114.144 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -54.27 -28.66 43.23 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.9 p -66.08 -45.12 82.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.986 0.422 . . . . 0.0 111.337 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.19 -39.45 82.47 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.457 0.646 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -63.26 -45.02 93.47 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.661 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 14' ' ' VAL . 33.4 tt0 -63.98 -44.87 91.39 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.169 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.65 87.06 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.174 0.59 . . . . 0.0 110.753 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.09 -42.72 86.25 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.989 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 27.8 mmm180 -68.56 -42.17 78.72 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.244 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 10' ' ' GLU . 74.0 t -58.82 -42.56 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.198 0.599 . . . . 0.0 111.007 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -60.52 -40.83 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 110.377 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -72.01 -28.89 63.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 77.3 mt-30 -67.32 -38.43 84.9 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.48 0.181 . . . . 0.0 110.714 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.45 -44.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.86 -54.95 4.34 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.18 -60.29 2.42 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 t60 69.82 -55.47 0.59 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.72 1.208 . . . . 0.0 113.282 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.99 148.1 40.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.51 -46.79 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.901 1.281 . . . . 0.0 112.515 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.49 -45.66 93.31 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.74 -39.8 80.16 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.304 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -50.39 68.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.086 0.954 . . . . 0.0 108.778 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -57.15 -36.56 70.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.897 0.879 . . . . 0.0 111.53 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -66.83 -50.79 61.46 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.35 -33.84 74.3 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.075 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -59.46 -39.26 83.05 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.65 0.78 . . . . 0.0 109.512 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.13 -52.88 7.24 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.345 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.29 -50.84 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 123.166 0.586 . . . . 0.0 112.058 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.7 -32.21 73.63 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.996 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.42 -46.64 38.78 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.37 -46.08 90.27 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.969 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -64.2 -35.68 81.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.605 0.241 . . . . 0.0 111.164 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.54 -43.61 76.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -65.86 -30.47 71.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.128 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.13 -36.15 66.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.022 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -62.27 -49.18 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.313 -1.017 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.203 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 N--CA 1.448 -1.168 0 CA-C-O 121.757 0.649 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.11 -33.3 62.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.945 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -62.59 -42.7 99.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.314 0.578 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.86 -38.71 79.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.83 -46.04 86.88 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.454 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.8 mt-10 -73.42 -26.26 60.88 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.282 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.34 90.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -60.36 -43.44 96.54 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.212 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.63 -40.47 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 10' ' ' GLU . 79.2 t -63.4 -38.09 81.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -59.14 -44.0 92.04 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.289 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 86.4 m -65.54 -33.8 76.76 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -67.27 -34.98 78.56 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.778 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.47 -42.4 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.47 6.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 8.5 mm-40 -71.86 -55.93 6.66 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 55.88 85.58 0.07 Allowed 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.741 1.217 . . . . 0.0 112.323 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . 175.73 143.38 4.59 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.69 -46.82 83.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 C-N-CA 123.288 0.635 . . . . 0.0 111.902 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.92 -45.84 87.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.217 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 50.6 mtt180 -70.82 -20.83 62.52 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 99.2 mt-30 -67.02 -43.98 81.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -69.04 -37.41 78.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.503 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -53.61 -60.21 3.61 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.129 174.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.77 -22.98 65.17 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.42 -41.29 96.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 10.5 mm100 -86.9 -52.42 5.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.291 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 93.3 t -59.74 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 123.381 0.672 . . . . 0.0 112.645 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -67.9 -23.79 65.14 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.745 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.86 -44.77 65.69 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 92.6 mttt -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.77 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.575 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 79.0 mtp180 -60.41 -41.64 94.33 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.931 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 3.4 tm? -62.06 -45.48 93.35 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.252 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.8 -22.53 59.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.288 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.575 ' OE1' ' HA ' ' A' ' 36' ' ' ARG . 46.9 mt-10 -60.87 -46.7 89.57 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 174.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -57.3 -50.62 72.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.933 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 7.5 mm-40 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.018 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 N--CA 1.444 -1.422 0 CA-C-O 120.61 0.171 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.482 ' NH1' HD11 ' A' ' 37' ' ' LEU . 35.3 mmt180 -68.69 -33.61 74.24 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -73.02 -28.31 62.28 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.74 -45.08 68.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -39.23 91.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.535 176.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 33.9 tt0 -65.05 -42.77 93.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.13 75.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -63.78 -39.45 94.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' A' ' 30' ' ' GLN . 39.8 mtp180 -65.41 -51.42 60.44 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.079 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.61 -33.52 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -59.18 -48.45 81.57 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.996 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.08 -30.26 70.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -31.61 72.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.8 -58.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.95 87.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -85.37 -37.89 19.36 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 62.64 99.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.02 1.328 . . . . 0.0 111.912 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.68 145.84 4.21 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.66 -43.51 90.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 122.637 0.375 . . . . 0.0 110.981 -177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.62 -45.77 81.82 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.391 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.98 -45.26 93.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.445 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -61.71 -40.38 94.83 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.276 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -61.89 -47.44 84.98 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.686 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.5 tt0 -57.98 -43.49 86.56 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -69.8 -52.15 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 123.482 0.489 . . . . 0.0 109.725 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -58.81 -49.52 82.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.741 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.65 -27.17 64.82 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 122.285 -0.259 . . . . 0.0 111.103 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -74.04 -38.98 63.85 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -63.06 -45.87 90.16 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.867 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -53.18 -48.42 68.06 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.893 0.477 . . . . 0.0 110.909 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD11 ' NH1' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -68.45 -40.54 81.07 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.753 -177.133 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.49 -36.78 76.83 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.36 -29.13 66.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 73.2 ttt180 -66.97 -38.59 86.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 43.8 mt-10 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.405 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo . . . . . 0 N--CA 1.461 -0.421 0 CA-C-O 121.511 0.546 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.45 -19.91 63.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.611 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -60.39 -32.38 71.26 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -71.75 -46.14 59.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.952 0.882 . . . . 0.0 108.868 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.45 -49.66 75.91 Favored 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 125.836 1.654 . . . . 0.0 111.896 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.15 -42.3 80.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.06 79.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.3 -39.65 87.71 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.896 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.92 -38.71 69.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.81 -45.6 80.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -52.22 -54.62 28.74 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.191 0.997 . . . . 0.0 110.777 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 94.8 m -70.35 -25.36 63.24 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.95 -38.22 72.84 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.395 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.63 -48.66 20.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.725 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.04 4.72 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 12.0 mm-40 -72.62 -39.16 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 t60 70.18 103.1 0.06 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.884 1.274 . . . . 0.0 110.959 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.1 149.91 5.4 Favored Glycine 0 N--CA 1.423 -2.208 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.119 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 49.7 t -70.27 -42.33 78.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.911 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.64 -32.75 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -68.05 -39.41 83.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -63.99 -44.54 92.36 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.79 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 79.5 mtp180 -62.22 -34.95 77.45 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.809 0.444 . . . . 0.0 111.507 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.595 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.47 -34.36 74.25 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.972 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -58.18 -49.49 76.86 Favored 'General case' 0 C--O 1.204 -1.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.111 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -56.05 -49.0 74.96 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.807 0.692 . . . . 0.0 110.985 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.15 -45.58 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.277 0.561 . . . . 0.0 111.173 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.7 m -77.53 -17.54 57.84 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.37 -32.66 60.91 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.48 -41.49 88.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -63.21 -44.25 95.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.223 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -42.93 98.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.476 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -61.85 -37.22 83.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.934 0.494 . . . . 0.0 110.112 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.33 -48.6 49.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.591 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -59.56 -56.2 24.91 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 122.688 0.395 . . . . 0.0 111.329 179.162 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 N--CA 1.484 0.955 0 N-CA-C 112.765 0.256 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -55.53 -41.26 72.94 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.533 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -64.51 -26.64 68.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.83 -54.24 14.46 Favored 'General case' 0 C--O 1.243 0.72 0 O-C-N 123.12 0.263 . . . . 0.0 110.931 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -74.01 -29.24 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.681 -176.029 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.88 -36.53 80.4 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.98 70.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.209 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.6 t -62.0 -43.52 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.09 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.92 -47.41 85.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.97 -42.67 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.862 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -59.74 -50.24 74.62 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.653 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.0 m -65.24 -35.86 82.34 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.18 -20.45 59.31 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.399 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.96 -57.67 4.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.976 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.44 48.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -80.64 -52.06 8.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.97 92.34 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.62 1.568 . . . . 0.0 111.434 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.55 149.88 6.14 Favored Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.07 -51.13 57.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.049 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.91 -40.32 72.89 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.008 0.923 . . . . 0.0 109.351 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -70.66 -35.12 72.69 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.071 -176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.93 -32.42 63.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.04 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -61.97 -41.49 98.06 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.68 -51.74 68.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.946 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.24 -30.44 71.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' HG3' ' OE1' ' A' ' 34' ' ' GLU . 33.7 tt0 -63.2 -42.63 99.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.282 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 49.0 tt0 -63.99 -33.92 76.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.04 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 55.8 t -81.54 -62.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.149 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . 0.27 88.4 m -74.02 -41.39 61.91 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -170.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' OE1' ' HG3' ' A' ' 30' ' ' GLN . 1.5 mp0 -63.58 -36.27 83.23 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.969 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 28.5 ttpp -71.27 -37.23 71.9 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.915 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 78.0 mtp180 -59.24 -46.68 87.84 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' A' ' 9' ' ' TYR . 3.1 tm? -64.43 -36.35 83.87 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.16 0.505 . . . . 0.0 109.817 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.93 -40.84 96.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.973 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 15.7 mm-40 -79.84 -32.91 40.56 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -50.4 -52.87 33.69 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 125.506 1.522 . . . . 0.0 109.698 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.64 177.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--O 1.237 0.453 0 CA-C-O 120.999 0.333 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -53.87 -40.69 66.77 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.139 -0.937 . . . . 0.0 113.164 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -75.59 -35.81 60.48 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.449 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -65.67 -45.26 83.57 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -62.4 -46.99 86.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.307 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 14' ' ' VAL . 39.7 tt0 -57.5 -46.19 84.05 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.136 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.1 78.01 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.843 0.457 . . . . 0.0 111.49 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.87 -38.53 86.5 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 43.8 mtp180 -68.68 -46.35 69.29 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.037 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 10' ' ' GLU . 91.2 t -57.75 -37.49 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.121 0.568 . . . . 0.0 110.569 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -54.4 -52.94 60.14 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -67.96 -28.64 67.63 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.578 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.5 mt-30 -67.29 -25.82 66.23 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.727 0.299 . . . . 0.0 111.509 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.51 -48.64 11.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.884 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -55.23 11.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.764 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' OE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 mm-40 -79.08 -52.01 8.78 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 71.42 -41.76 0.51 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.485 1.914 . . . . 0.0 113.203 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 134.29 52.45 Favored Glycine 0 N--CA 1.444 -0.824 0 O-C-N 123.211 0.319 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.22 -42.02 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 124.222 1.009 . . . . 0.0 112.415 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.71 -50.23 73.9 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.057 0.456 . . . . 0.0 111.101 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 80.8 mtm180 -73.18 -27.25 61.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.842 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.49 -50.02 71.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.85 -34.62 78.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.945 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.07 -51.04 70.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.98 -26.08 68.67 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.864 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.39 -47.88 78.05 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.83 -38.22 38.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.87 -49.69 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.136 0.493 . . . . 0.0 109.961 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.8 m -69.98 -29.31 66.38 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.0 tt0 -68.42 -45.19 73.28 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 24.5 ttmm -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.188 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.36 -37.18 79.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.006 0.432 . . . . 0.0 110.143 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.32 -42.31 72.13 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 33.4 mmt180 -61.52 -36.82 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 111.306 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 10.5 mm-40 -71.41 -36.2 71.26 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.116 0.484 . . . . 0.0 110.192 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -68.68 -47.88 65.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.9 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 8.3 pt-20 . . . . . 0 C--O 1.204 -1.305 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.464 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.236 0.396 0 N-CA-C 109.872 -0.857 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.2 -42.23 76.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.314 . . . . 0.0 112.874 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -56.69 -36.42 69.6 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.58 -54.12 15.59 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.284 0.564 . . . . 0.0 109.724 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -62.34 -48.92 77.68 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.539 -175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.16 -47.72 84.88 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.26 90.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.524 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.76 -40.68 80.3 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.363 0.665 . . . . 0.0 110.965 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -39.35 83.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.04 -55.27 32.86 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.166 0.586 . . . . 0.0 110.701 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.9 m -72.35 -21.85 61.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.2 -39.19 89.49 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.16 -37.16 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.612 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -56.69 4.47 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -74.92 -47.27 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.732 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.7 t60 71.96 -50.16 0.69 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.778 1.231 . . . . 0.0 112.302 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.37 133.07 25.69 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.43 -39.69 70.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -173.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.28 -50.64 72.88 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -74.15 -32.13 63.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -68.14 -40.21 82.49 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -62.76 -34.05 76.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.51 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -66.49 -50.74 62.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.78 -49.32 68.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.67 -30.09 69.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.27 -38.93 71.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.68 -40.35 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 69.5 m -58.74 -47.12 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.162 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.31 -26.41 55.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.681 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 18.5 tppt? -62.45 -52.47 63.41 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -65.84 -30.57 71.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.104 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.3 tm? -66.44 -42.73 87.2 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.876 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -64.82 -35.38 80.91 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 40.8 mt-10 -64.48 -49.01 73.04 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -54.82 -43.43 72.95 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.445 1.098 . . . . 0.0 111.021 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 31.6 mt-10 . . . . . 0 C--O 1.217 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.477 0.502 0 N-CA-C 114.649 0.98 . . . . 0.0 114.649 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 66.54 -59.37 0.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.07 1.348 . . . . 0.0 113.137 -175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -50.55 -41.45 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 123.838 0.855 . . . . 0.0 112.458 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -56.77 -49.78 74.27 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.73 0.776 . . . . 0.0 111.67 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -73.57 -49.84 24.32 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.247 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.79 -53.03 62.65 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.421 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.95 85.14 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.4 t -57.21 -46.97 82.42 Favored 'General case' 0 C--O 1.273 2.29 0 CA-C-O 121.339 0.59 . . . . 0.0 110.737 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -65.28 -48.77 72.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.332 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.35 -41.24 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.005 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -52.78 -53.1 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.263 0.625 . . . . 0.0 110.593 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 85.3 m -75.79 -27.39 57.98 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.302 -0.959 . . . . 0.0 113.231 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.35 -31.07 70.19 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.713 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -96.82 -50.44 11.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.919 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.95 46.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 10.1 mm-40 -83.48 -57.03 3.41 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 59.01 92.91 0.04 OUTLIER 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.518 1.527 . . . . 0.0 112.094 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.04 152.92 8.51 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.94 -49.47 83.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-N 117.716 0.758 . . . . 0.0 111.284 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.73 -42.76 99.82 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.202 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -64.75 -44.42 90.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.756 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.35 -53.41 55.48 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -67.52 -31.21 71.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -66.74 -50.5 62.55 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.47 -43.87 88.94 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.79 -37.77 71.59 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 122.911 0.485 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.28 -43.08 99.47 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 123.612 0.57 . . . . 0.0 110.178 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.48 -43.4 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.931 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.54 -44.2 85.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.874 0.47 . . . . 0.0 110.099 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -58.89 -48.09 82.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.491 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 34.2 ttpt -61.73 -49.78 75.07 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.035 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 HH21 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -55.22 -40.54 70.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.558 0.743 . . . . 0.0 111.671 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.23 -39.31 75.16 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -67.51 -31.71 72.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.964 0.411 . . . . 0.0 110.626 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.6 mt-10 -65.04 -35.48 81.3 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 36.8 mmt180 -68.6 -30.87 69.71 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.315 -0.926 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 177.08 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo . . . . . 0 CA--C 1.543 0.968 0 N-CA-C 115.544 1.324 . . . . 0.0 115.544 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.7 -34.55 64.9 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 122.104 -0.372 . . . . 0.0 111.552 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -75.96 -31.91 59.26 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.444 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.0 -46.38 81.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.68 77.04 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.803 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' OE1' ' HD3' ' A' ' 13' ' ' ARG . 7.1 tp10 -74.68 -42.99 57.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 109.76 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.4 70.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.97 -34.62 73.54 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 123.49 0.716 . . . . 0.0 109.627 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 10' ' ' GLU . 76.6 mtp180 -75.59 -41.92 53.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.788 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.32 -39.39 84.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 CA-C-O 121.721 0.772 . . . . 0.0 109.704 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -56.22 -46.61 79.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.248 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.32 -26.16 65.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.51 -42.83 99.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.11 -36.55 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.61 -60.41 2.19 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.07 -48.48 70.86 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 62.61 99.18 0.03 OUTLIER 'General case' 0 C--O 1.249 1.055 0 O-C-N 124.826 1.329 . . . . 0.0 110.24 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.69 134.71 1.83 Allowed Glycine 0 N--CA 1.423 -2.173 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 41.4 t -63.77 -50.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -176.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.61 -24.29 62.72 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.001 0.429 . . . . 0.0 110.046 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.37 -35.75 63.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.12 0.486 . . . . 0.0 109.928 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -42.17 84.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 49.6 mtp180 -66.86 -32.7 74.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.439 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.12 -44.79 96.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.04 -31.96 73.15 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.841 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -59.26 -50.96 72.01 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 7.3 tt0 -57.28 -54.28 48.62 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.7 0.625 . . . . 0.0 110.558 177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.65 -52.49 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.522 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.43 -28.24 67.72 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 122.341 -0.224 . . . . 0.0 110.512 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.9 -43.41 83.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 56.1 mtpt -66.43 -43.26 86.13 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.492 178.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.934 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.35 -40.28 85.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -59.24 -42.96 92.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.815 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.71 -34.9 65.02 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.002 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.88 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.444 -0.775 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.714 178.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo . . . . . 0 N--CA 1.44 -1.62 0 N-CA-C 108.04 -1.562 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -118.64 177.75 4.72 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.81 -179.22 23.92 Favored Glycine 0 N--CA 1.423 -2.226 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.541 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 43.7 p -126.52 178.21 1.64 Allowed Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.511 ' HD2' ' HB2' ' A' ' 4' ' ' SER . 92.8 Cg_endo -74.66 2.82 6.01 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.022 1.814 . . . . 0.0 113.913 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -106.52 -22.78 12.68 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.158 0.504 . . . . 0.0 111.254 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -48.36 -49.15 35.65 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.75 -41.35 97.56 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.627 0.648 . . . . 0.0 111.163 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -71.26 -51.01 26.93 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.748 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.53 -51.16 70.63 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.18 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.42 71.57 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -65.01 -45.1 86.95 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -65.6 -42.08 92.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.952 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.17 -46.35 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -54.92 -54.37 43.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.377 0.671 . . . . 0.0 109.718 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 70.8 m -73.32 -15.44 61.39 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.718 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -77.39 -38.18 50.42 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.07 -53.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.18 59.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.546 ' OE1' ' HD3' ' A' ' 25' ' ' ARG . 18.7 mm-40 -93.42 -61.44 1.56 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.704 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 54.82 85.42 0.06 Allowed 'General case' 0 C--O 1.251 1.174 0 C-N-CA 123.926 0.89 . . . . 0.0 111.252 -175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.95 147.56 6.08 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.0 t -64.56 -48.45 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.16 0.48 . . . . 0.0 111.773 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.16 -43.17 99.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.568 0.699 . . . . 0.0 110.107 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 55.9 mtt-85 -70.92 -32.97 70.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.279 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.69 -42.92 90.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 65.4 mtp180 -57.97 -47.22 83.59 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.586 0.554 . . . . 0.0 109.804 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.35 -55.35 34.49 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 124.127 0.892 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.23 -44.47 96.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.793 0.683 . . . . 0.0 110.921 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.45 -48.79 79.54 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.309 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.75 -40.23 75.41 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.14 -45.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 119.469 -0.892 . . . . 0.0 111.159 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -73.03 -31.87 64.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.64 -38.89 77.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.86 -43.56 71.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -55.43 -44.98 76.8 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.28 0.363 . . . . 0.0 110.521 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.09 -56.56 17.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.714 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.71 -40.15 96.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.996 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.63 -34.52 69.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.124 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -71.2 -52.91 16.47 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 123.186 0.304 . . . . 0.0 110.271 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -66.67 -30.92 71.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.843 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -26.92 73.37 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -86.45 -5.0 59.26 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.704 0.802 . . . . 0.0 109.448 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -107.5 175.2 5.57 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.941 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.99 113.41 20.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.97 144.38 9.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.309 -1.179 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 N--CA 1.439 -1.683 0 N-CA-C 108.786 -1.275 . . . . 0.0 108.786 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -139.34 178.21 7.36 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.79 -4.56 87.21 Favored Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -55.2 114.17 6.71 Favored Pre-proline 0 N--CA 1.432 -1.337 0 C-N-CA 125.149 1.379 . . . . 0.0 111.569 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -76.26 -0.8 10.75 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 123.742 2.961 . . . . 0.0 112.359 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 15.4 ptm180 -56.51 -22.64 34.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.988 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -56.56 -44.22 80.72 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 123.295 0.638 . . . . 0.0 111.422 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.11 -39.04 92.57 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.0 0.905 . . . . 0.0 109.817 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -66.99 -46.42 74.64 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.143 -1.39 . . . . 0.0 111.21 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.6 mt-10 -70.74 -36.18 73.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.89 92.85 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 28.9 t -57.55 -41.56 81.22 Favored 'General case' 0 C--O 1.246 0.893 0 C-N-CA 123.519 0.727 . . . . 0.0 111.115 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 50.1 mtm180 -65.19 -54.18 33.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.475 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.16 -36.48 77.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -54.08 -52.66 60.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.995 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.1 m -67.35 -27.31 67.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.709 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 23.8 mt-30 -64.93 -37.95 89.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -87.94 -57.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.594 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -49.28 22.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 23.3 mm-40 -75.55 -48.27 23.16 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.12 -177.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 62.38 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.876 1.271 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.15 154.01 6.57 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.41 -54.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.378 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -30.01 70.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.774 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -57.47 -50.47 72.93 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.192 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.83 -44.99 83.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.434 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 16.9 mmt180 -62.37 -37.37 85.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.527 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 32' ' ' VAL . 37.3 ttm180 -70.09 -39.75 75.38 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.665 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.36 -38.84 88.41 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 53.1 tp60 -55.29 -54.37 44.42 Favored 'General case' 0 C--O 1.196 -1.72 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 25.0 mt-30 -55.62 -50.25 70.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.702 0.626 . . . . 0.0 111.742 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 28' ' ' ARG . 48.7 t -65.28 -49.53 78.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.148 0.499 . . . . 0.0 111.209 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.38 -26.35 60.05 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.58 -40.38 66.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.36 -42.25 99.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -67.28 -35.81 80.25 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.78 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.3 -40.75 98.23 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -65.35 -27.99 68.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.161 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.73 -42.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -66.91 -38.6 86.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.44 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 61.0 mm-40 -56.15 -47.99 77.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.843 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.39 -21.8 72.58 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.262 -0.881 . . . . 0.0 113.026 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -68.28 -27.59 66.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.234 0.517 . . . . 0.0 111.483 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 9.0 ptp85 -92.62 30.69 1.48 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.667 0.746 . . . . 0.0 109.338 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.81 138.79 47.38 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -94.02 94.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 CA-C-O 121.927 0.87 . . . . 0.0 111.184 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.293 -1.868 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.398 176.551 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.442 -1.544 0 N-CA-C 109.109 -1.15 . . . . 0.0 109.109 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -102.37 175.8 5.4 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.04 159.35 22.05 Favored Glycine 0 N--CA 1.426 -1.975 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -70.65 143.38 89.78 Favored Pre-proline 0 C--N 1.3 -1.564 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.29 -39.83 79.78 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.064 2.509 . . . . 0.0 113.904 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -67.38 -39.74 85.66 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -73.19 -29.71 63.02 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.375 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.12 -44.16 97.77 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.58 -46.27 83.43 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.853 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.43 -47.4 85.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.63 76.41 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.081 0.552 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.34 -38.8 90.89 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 55.3 mtp180 -66.84 -50.56 62.18 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.488 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.22 -38.73 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.788 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -53.18 -54.55 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.538 0.735 . . . . 0.0 109.926 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.35 -30.58 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 78.8 mt-30 -61.79 -30.5 70.85 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.067 0.46 . . . . 0.0 111.131 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.41 -55.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.48 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.18 -59.44 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 15.5 mm-40 -71.74 -50.15 32.71 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.112 0.257 . . . . 0.0 110.424 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 54.52 84.83 0.06 Allowed 'General case' 0 C--O 1.244 0.797 0 C-N-CA 124.605 1.162 . . . . 0.0 111.627 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.79 143.95 4.03 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.41 -46.65 85.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 123.925 0.89 . . . . 0.0 112.657 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.77 -55.32 35.68 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 82.7 mtt180 -70.12 -29.76 66.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.41 -176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.66 -49.24 66.83 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -61.74 -39.01 90.09 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.688 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -58.49 -59.01 6.03 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.368 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.2 m -60.24 -45.23 93.97 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.78 -47.33 74.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.568 0.347 . . . . 0.0 111.22 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.15 -39.62 93.24 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.461 0.475 . . . . 0.0 110.785 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.27 -47.01 82.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.355 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.51 -33.76 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.45 0.3 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.75 -43.7 83.43 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.653 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -65.22 -41.5 94.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.397 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.0 -42.39 99.09 Favored 'General case' 0 C--O 1.208 -1.121 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.492 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.64 -43.45 98.84 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.237 0.615 . . . . 0.0 110.492 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -60.34 -42.96 96.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.834 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -80.47 -26.32 38.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.63 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -57.71 -57.54 12.29 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 124.153 0.981 . . . . 0.0 108.95 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.64 -39.96 56.94 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.828 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 45' ' ' GLU . . . -59.43 -17.65 40.66 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 123.794 0.684 . . . . 0.0 114.503 -176.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.19 -31.31 72.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.325 0.583 . . . . 0.0 109.439 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -110.8 -52.16 2.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.903 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 9.1 mm-40 -80.75 104.13 11.07 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.34 100.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--N 1.301 -1.503 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.258 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo . . . . . 0 N--CA 1.433 -2.037 0 N-CA-C 110.364 -0.668 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -171.67 101.36 0.19 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.59 49.87 4.69 Favored Glycine 0 C--N 1.307 -1.05 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.529 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 10.9 m -97.19 141.63 23.33 Favored Pre-proline 0 N--CA 1.432 -1.353 0 C-N-CA 122.971 0.509 . . . . 0.0 110.033 -176.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 -37.5 78.88 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 C-N-CA 123.667 2.912 . . . . 0.0 115.086 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -91.69 -21.7 20.62 Favored 'General case' 0 CA--C 1.479 -1.775 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.685 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 4' ' ' SER . 15.9 m -67.73 -45.82 73.93 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.971 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.14 -44.33 95.03 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.422 1.106 . . . . 0.0 108.741 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.52 ' CD1' HD21 ' A' ' 37' ' ' LEU . 39.0 t80 -63.87 -55.29 23.86 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 113.848 -1.524 . . . . 0.0 112.186 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 13' ' ' ARG . 8.4 tp10 -67.01 -39.14 87.0 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.137 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.93 76.6 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 51.5 t -65.76 -41.01 92.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.869 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD3' ' OE2' ' A' ' 10' ' ' GLU . 51.6 mtp180 -66.63 -46.29 76.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.25 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.57 -45.05 98.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.05 -54.58 43.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 111.05 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.32 -26.03 62.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.72 -28.34 69.52 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.73 -60.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.97 -53.54 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.33 -50.2 41.52 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.431 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.1 t60 58.62 73.95 0.46 Allowed 'General case' 0 C--O 1.244 0.786 0 O-C-N 124.468 1.105 . . . . 0.0 110.514 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.59 137.52 2.38 Favored Glycine 0 N--CA 1.43 -1.751 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 61.4 t -60.32 -50.54 79.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 C-N-CA 123.224 0.61 . . . . 0.0 110.956 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 35.1 tt0 -57.6 -50.35 73.43 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.807 0.843 . . . . 0.0 110.042 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -62.63 -40.11 95.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 53.3 tt0 -67.4 -43.7 80.68 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.444 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 22.2 mtm180 -64.68 -34.38 78.17 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.179 0.299 . . . . 0.0 110.513 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 20.3 mmm180 -58.6 -47.76 83.23 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.226 175.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.3 m -60.48 -47.88 84.21 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.106 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 25.0 mt-30 -60.46 -39.89 89.23 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.159 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.16 -45.67 84.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 117.915 0.325 . . . . 0.0 111.177 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.78 -43.59 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.638 0.732 . . . . 0.0 110.142 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.7 m -75.29 -17.52 60.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.011 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 40.7 tt0 -73.03 -34.0 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.89 -49.93 68.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.82 -38.11 77.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD21 ' CD1' ' A' ' 9' ' ' TYR . 41.4 tp -55.62 -60.12 3.88 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.336 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -67.94 -36.98 81.06 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.174 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.558 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 70.1 mt-10 -65.34 -46.99 78.04 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.342 0.401 . . . . 0.0 111.674 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.59 -40.12 88.76 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.774 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 13.0 pt-20 -73.24 -35.34 66.24 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.108 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.84 -25.43 74.92 Favored Glycine 0 C--O 1.244 0.764 0 C-N-CA 121.578 -0.344 . . . . 0.0 112.366 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NH1' ' HB3' ' A' ' 39' ' ' GLU . 64.9 mtt85 -84.74 -32.91 23.22 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 120.693 0.282 . . . . 0.0 111.298 176.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -76.11 -40.35 53.11 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.233 0.54 . . . . 0.0 109.75 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.7 93.83 8.23 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.502 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.39 137.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.633 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.291 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.436 -1.908 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.33 -179.07 0.2 Allowed 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.667 1.187 . . . . 0.0 111.426 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.67 -44.88 0.18 Allowed Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.8 m -98.28 118.27 63.73 Favored Pre-proline 0 N--CA 1.427 -1.593 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.72 -14.36 39.84 Favored 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 123.425 2.75 . . . . 0.0 113.538 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 14.0 ptt180 -60.4 -18.42 50.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.856 0.462 . . . . 0.0 111.193 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -60.19 -29.92 69.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.749 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.01 -42.54 99.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.87 0.843 . . . . 0.0 109.264 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' ARG . 13.3 t80 -64.2 -46.78 82.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.824 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -64.05 -44.85 91.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.054 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.67 88.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.311 0.577 . . . . 0.0 110.548 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -67.0 -39.28 87.07 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.865 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -63.78 -50.38 69.26 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.03 -26.84 30.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.469 0.652 . . . . 0.0 111.355 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.21 -46.44 89.72 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.06 -22.93 63.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.663 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -65.96 -41.89 90.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.85 -36.44 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.76 -56.37 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.28 -57.19 4.04 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 56.66 96.22 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 112.749 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.24 152.63 7.04 Favored Glycine 0 CA--C 1.494 -1.238 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.91 -55.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 117.319 0.559 . . . . 0.0 111.859 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -68.41 -22.94 64.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -77.24 -42.91 35.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.49 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.1 -46.79 82.66 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.053 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.58 -45.21 89.52 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 123.963 0.789 . . . . 0.0 110.354 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -57.73 -54.76 43.24 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.897 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.38 -35.46 75.76 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.164 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.23 -44.3 92.34 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 121.296 -0.162 . . . . 0.0 110.837 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -72.19 -45.09 61.78 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.079 0.466 . . . . 0.0 110.511 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.92 -43.54 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.187 0.517 . . . . 0.0 111.343 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.1 m -72.0 -20.96 61.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 122.081 -0.387 . . . . 0.0 111.005 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.31 -31.67 48.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -67.96 -38.73 83.13 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.18 -41.51 97.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.707 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 9' ' ' TYR . 3.4 tm? -64.72 -38.35 90.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.376 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -64.06 -28.89 70.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.986 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 26.4 mm-40 -75.67 -48.0 23.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -52.81 -49.97 64.6 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.527 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.83 -41.58 29.82 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -29.65 75.11 Favored Glycine 0 N--CA 1.463 0.451 0 O-C-N 123.451 0.469 . . . . 0.0 113.722 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -71.06 -23.63 62.17 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.422 0.629 . . . . 0.0 109.903 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.73 -62.58 1.39 Allowed 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -129.2 143.4 50.84 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.55 3.03 8.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 121.893 0.854 . . . . 0.0 109.46 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.088 179.037 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.444 -1.383 0 N-CA-C 111.226 -0.336 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -119.05 159.54 23.72 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.98 -0.45 . . . . 0.0 110.919 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -127.89 58.94 0.69 Allowed Glycine 0 C--N 1.299 -1.486 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -76.17 125.12 88.26 Favored Pre-proline 0 N--CA 1.435 -1.187 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.4 -51.83 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 122.151 1.901 . . . . 0.0 114.374 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.15 -35.53 80.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.7 p -68.51 -51.23 45.43 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 123.142 0.276 . . . . 0.0 111.46 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.03 -37.28 86.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 122.98 0.512 . . . . 0.0 111.405 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -65.84 -51.69 56.73 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.696 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.18 -33.38 73.28 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.505 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.96 88.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -58.4 -40.81 83.44 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -70.03 -45.72 66.56 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.85 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 18' ' ' VAL . 62.0 t -67.97 -37.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.282 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.36 -51.27 68.92 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.1 m -73.3 -25.7 60.76 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.1 -37.86 81.65 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 120.758 0.313 . . . . 0.0 110.427 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -94.25 -41.92 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.77 -46.83 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.892 -0.505 . . . . 0.0 112.169 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 7.5 mm-40 -79.62 -54.13 6.17 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 64.44 90.18 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.519 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.75 127.89 0.91 Allowed Glycine 0 N--CA 1.423 -2.226 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -52.22 -43.14 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.687 0.795 . . . . 0.0 111.494 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 11.4 pt-20 -58.01 -50.64 72.71 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.441 0.463 . . . . 0.0 111.417 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 66.8 mtt180 -74.07 -34.3 63.98 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.91 -44.67 94.16 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.46 -43.72 80.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.5 mmt180 -56.84 -47.45 80.3 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 122.558 0.343 . . . . 0.0 111.329 177.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.17 -49.31 76.31 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 123.798 0.687 . . . . 0.0 110.653 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.2 -46.45 85.79 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.531 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -52.56 -51.71 58.43 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 123.669 0.606 . . . . 0.0 110.753 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 99.5 t -71.64 -48.79 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.554 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -62.99 -31.52 72.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.55 -38.38 59.29 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.3 tttm -61.99 -53.23 58.47 Favored 'General case' 0 N--CA 1.423 -1.814 0 O-C-N 123.313 0.383 . . . . 0.0 110.4 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 22.0 mtm180 -59.04 -36.98 75.92 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.491 0.662 . . . . 0.0 110.336 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.8 tm? -62.35 -52.34 64.03 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -61.13 -37.71 83.8 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.494 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 70.2 mm-40 -59.78 -43.96 94.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.473 0.654 . . . . 0.0 110.462 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -72.2 -24.41 61.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.032 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 24.4 mm-40 -84.06 -44.44 14.09 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.138 0.494 . . . . 0.0 109.692 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.89 -25.77 72.02 Favored Glycine 0 C--O 1.226 -0.379 0 CA-C-N 115.516 -0.766 . . . . 0.0 113.583 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.25 -13.41 62.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.6 mtm-85 -104.18 10.84 35.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -117.94 136.84 53.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.1 t 67.38 94.86 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.29 1.036 . . . . 0.0 110.835 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 CA--C 1.487 -1.455 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.027 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.451 -0.979 0 N-CA-C 108.057 -1.555 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 66.86 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.297 0.998 . . . . 0.0 110.672 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.07 65.58 0.32 Allowed Glycine 0 N--CA 1.427 -1.935 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.633 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.6 m -111.13 102.14 52.08 Favored Pre-proline 0 C--N 1.297 -1.69 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.72 -20.71 44.14 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 123.229 2.619 . . . . 0.0 112.993 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -58.72 -32.83 69.56 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.956 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -60.62 -43.99 96.83 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.498 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.73 -47.13 73.26 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.972 0.892 . . . . 0.0 109.287 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 37' ' ' LEU . 16.9 t80 -62.69 -49.17 76.18 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.277 -1.328 . . . . 0.0 112.053 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.96 -40.21 94.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.52 72.78 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.984 0.421 . . . . 0.0 110.291 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.48 -45.91 78.09 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -66.03 -47.53 74.12 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.684 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.94 -37.82 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.225 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -57.04 -48.9 77.41 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 84.7 m -71.1 -29.0 64.72 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.234 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.69 -40.48 95.45 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.055 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.73 -44.63 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.72 -42.74 17.67 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 17.1 mm-40 -77.43 -56.81 4.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 t60 71.1 -43.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.02 1.328 . . . . 0.0 112.952 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.27 141.4 45.8 Favored Glycine 0 N--CA 1.448 -0.524 0 O-C-N 123.048 0.218 . . . . 0.0 112.703 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.23 -32.98 55.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 123.008 0.523 . . . . 0.0 111.251 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.64 -41.61 65.29 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -63.23 -44.85 94.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.025 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.95 -32.44 73.69 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -64.43 -37.06 86.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.14 -48.25 68.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.9 m -59.71 -44.6 93.63 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -54.47 -47.07 73.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -53.39 55.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.716 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.95 -44.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.38 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.57 -31.94 71.5 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.337 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.6 -41.68 79.24 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -59.9 -47.38 86.01 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.825 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.38 -44.22 84.29 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.647 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 67.7 tp -62.88 -49.65 74.0 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 123.611 0.569 . . . . 0.0 110.593 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.78 -30.89 71.6 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' ARG . 39.0 mm-40 -81.85 -29.76 32.37 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.963 -0.46 . . . . 0.0 110.74 173.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -65.01 -43.52 92.23 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.26 -58.98 2.96 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . . . -82.31 -22.31 59.03 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 115.989 1.156 . . . . 0.0 115.989 -168.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 18.8 tpp180 -88.97 -23.96 22.52 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.06 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -95.03 -44.98 7.43 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.53 89.67 2.44 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-O 122.196 0.998 . . . . 0.0 111.343 170.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 12.5 p -71.16 139.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.732 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 CA--C 1.487 -1.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 174.07 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.443 -1.456 0 N-CA-C 109.916 -0.84 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.44 144.84 31.12 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.857 0.361 . . . . 0.0 111.527 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.05 59.82 4.47 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -149.4 141.36 14.97 Favored Pre-proline 0 N--CA 1.428 -1.541 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.57 -10.8 27.33 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.268 1.979 . . . . 0.0 112.57 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -54.96 -41.16 70.8 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.106 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -67.84 -30.88 70.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 22.5 mm-40 -66.85 -44.75 80.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.36 -42.55 79.03 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.484 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.1 -49.75 68.79 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.693 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.62 74.4 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.738 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -56.8 -44.12 81.61 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.55 0.691 . . . . 0.0 109.71 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -70.33 -46.3 64.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.22 -42.37 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.259 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -55.29 -43.87 75.17 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.881 0.472 . . . . 0.0 110.893 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -70.03 -32.06 70.02 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -68.2 -42.59 79.66 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.359 0.599 . . . . 0.0 109.768 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.64 -54.75 14.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.025 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.85 -49.41 8.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.54 -52.05 11.53 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.225 -174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.5 t60 59.2 103.45 0.02 OUTLIER 'General case' 0 C--O 1.248 1.005 0 C-N-CA 125.326 1.45 . . . . 0.0 112.299 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.6 4.01 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.34 -52.53 54.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -60.04 -42.3 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.447 0.641 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.03 -42.31 89.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.406 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -69.97 -39.73 75.81 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 123.077 0.551 . . . . 0.0 110.254 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.72 -38.77 91.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.175 0.59 . . . . 0.0 109.846 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' O ' HG21 ' A' ' 32' ' ' VAL . 32.3 tpt180 -65.8 -51.97 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.606 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.45 -44.69 84.95 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.23 -31.8 71.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.153 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -71.13 -39.94 71.71 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 28' ' ' ARG . 58.9 t -67.12 -48.16 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.107 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.33 -39.43 87.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.54 -40.99 89.37 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.556 0.694 . . . . 0.0 109.586 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -65.36 -49.66 68.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.49 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -65.71 -33.54 76.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.4 tm? -64.61 -43.51 93.51 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.39 -39.84 81.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -38.95 85.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 8' ' ' GLU . 34.2 ttt180 -65.1 -33.5 76.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.22 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 44.2 mt-10 -69.88 -24.75 63.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.402 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.12 -23.68 54.31 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -78.36 -46.47 19.91 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 122.659 0.384 . . . . 0.0 110.624 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -90.65 136.31 33.15 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.058 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -84.15 170.4 13.84 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.155 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.12 149.47 6.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.937 0.399 . . . . 0.0 110.867 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.472 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 N--CA 1.445 -1.352 0 N-CA-C 107.858 -1.632 . . . . 0.0 107.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 68.65 -179.93 0.23 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.174 1.389 . . . . 0.0 110.758 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.576 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . -117.89 77.63 0.29 Allowed Glycine 0 N--CA 1.425 -2.035 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 172.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -94.33 105.09 15.97 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.576 ' HD3' ' O ' ' A' ' 3' ' ' GLY . 57.9 Cg_endo -96.05 -18.02 0.31 Allowed 'Trans proline' 0 N--CA 1.445 -1.362 0 C-N-CA 122.299 1.999 . . . . 0.0 112.554 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.75 -29.0 64.03 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.151 0.501 . . . . 0.0 110.331 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -72.94 -34.89 66.83 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.396 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.63 -47.13 79.68 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.562 0.696 . . . . 0.0 109.143 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -62.9 -41.86 99.58 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.696 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -65.93 -42.57 89.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.357 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.78 80.96 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.097 0.559 . . . . 0.0 110.621 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 40.6 t -56.58 -41.38 76.86 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.244 0.545 . . . . 0.0 110.939 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.41 -48.49 67.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.271 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.37 -39.82 85.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.948 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 95.1 m -74.34 -21.5 59.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.25 -43.51 98.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.37 -41.44 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.602 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.73 39.07 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 28.5 mm-40 -81.16 -47.56 13.29 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 60.82 81.05 0.2 Allowed 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.67 143.8 3.92 Favored Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.029 -1.629 . . . . 0.0 109.029 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.49 -49.34 81.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 117.132 0.466 . . . . 0.0 111.765 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.51 -41.36 76.15 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.812 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -65.0 -36.64 85.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.114 0.483 . . . . 0.0 111.282 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.35 -44.23 68.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.8 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -71.44 -26.81 62.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.908 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 32' ' ' VAL . 27.5 tpt180 -59.8 -51.65 68.81 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 72.8 m -60.12 -46.21 90.4 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.314 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -51.36 -49.11 62.1 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.677 0.611 . . . . 0.0 110.622 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.0 -44.66 65.45 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.894 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 28' ' ' ARG . 96.9 t -62.46 -47.2 94.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.187 0.518 . . . . 0.0 110.282 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -69.06 -28.53 66.62 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.347 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.66 -42.07 82.77 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 40.2 ttmt -59.67 -54.68 43.59 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.444 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.28 -35.99 72.61 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.171 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.21 -45.71 90.41 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -71.18 -35.94 71.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.958 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 17.5 mm-40 -62.52 -38.0 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 31.5 ttm180 -64.82 -37.98 89.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.608 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -80.96 -36.17 31.22 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.754 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.22 -43.21 13.68 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.007 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -89.76 -3.32 58.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.409 0.605 . . . . 0.0 112.566 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 97.6 mtt180 -121.96 178.7 4.78 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -75.95 159.39 30.93 Favored 'General case' 0 C--O 1.251 1.178 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.45 108.68 5.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.115 0.966 . . . . 0.0 109.023 -178.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.444 -1.405 0 N-CA-C 109.485 -1.006 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -95.95 -177.62 4.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.35 110.56 2.26 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.525 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 42.6 t -81.76 127.28 73.14 Favored Pre-proline 0 C--N 1.302 -1.463 0 CA-C-O 121.008 0.433 . . . . 0.0 111.002 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.28 -18.28 23.51 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.36 2.04 . . . . 0.0 110.876 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -81.44 -44.68 17.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.538 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 4' ' ' SER . 32.3 p -69.77 -32.66 71.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.219 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -56.56 -48.89 76.35 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.306 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.2 t80 -67.93 -49.6 60.89 Favored 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.718 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.72 -50.8 69.36 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.785 0.678 . . . . 0.0 111.095 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.48 90.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.596 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.34 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.5 -48.58 39.45 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.951 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 18' ' ' VAL . 96.2 t -60.9 -44.91 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 122.33 0.252 . . . . 0.0 111.162 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.312 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 m -67.3 -36.27 81.15 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.508 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.82 -27.66 66.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.401 0.619 . . . . 0.0 110.107 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' VAL . 62.9 t -80.77 -48.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.994 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.41 -43.91 14.22 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.11 -55.54 4.69 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 62.25 94.2 0.05 OUTLIER 'General case' 0 C--O 1.249 1.026 0 C-N-CA 124.816 1.246 . . . . 0.0 111.297 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.98 5.84 Favored Glycine 0 C--N 1.298 -1.528 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.3 t -72.1 -40.72 67.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 117.337 0.568 . . . . 0.0 110.618 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.87 -38.62 83.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -72.22 -32.91 67.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.403 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.62 -45.49 92.61 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 91.4 mtt180 -54.23 -36.01 63.06 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.682 0.793 . . . . 0.0 111.545 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.95 -60.03 3.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.77 -42.49 97.6 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.0 -40.52 73.49 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.417 0.687 . . . . 0.0 111.073 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -74.02 -36.43 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 111.135 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.21 -46.2 84.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.7 m -63.28 -42.04 99.06 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.47 -40.68 97.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.21 0.604 . . . . 0.0 110.127 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' HZ1' ' HB2' ' A' ' 35' ' ' LYS . 4.9 ttmp? -64.41 -44.58 90.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.138 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -73.51 -27.91 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.69 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD12 ' CD2' ' A' ' 9' ' ' TYR . 1.7 tt -59.29 -50.64 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -62.15 -36.68 82.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.29 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.2 mt-10 -68.25 -47.11 68.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.371 0.605 . . . . 0.0 110.475 176.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.192 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -81.24 -18.27 46.63 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.752 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.0 56.97 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -86.52 -2.23 58.29 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.618 0.767 . . . . 0.0 113.049 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -120.21 151.71 38.75 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -83.25 101.48 11.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.47 -39.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 CA--C 1.497 -1.091 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 0 N--CA 1.447 -1.233 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -98.43 118.21 34.6 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.722 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.35 65.83 1.53 Allowed Glycine 0 N--CA 1.435 -1.425 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 p -90.41 113.08 56.28 Favored Pre-proline 0 C--N 1.299 -1.596 0 C-N-CA 122.81 0.444 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.81 -24.45 21.31 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.551 1.5 . . . . 0.0 112.07 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.71 -43.41 89.2 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.486 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -66.06 -34.78 78.85 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.861 0.839 . . . . 0.0 109.597 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.511 ' CD2' HD23 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.45 -39.21 85.37 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.937 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.44 -45.0 96.14 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.64 91.52 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.888 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 44.2 t -57.29 -39.19 75.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.133 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 47.8 mtm180 -68.41 -54.83 14.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.414 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.28 -38.67 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 111.327 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -61.63 -43.86 98.07 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.5 m -75.43 -17.62 60.12 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -70.0 -35.59 74.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.609 0.719 . . . . 0.0 109.124 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.03 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.552 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.31 67.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 24.8 mm-40 -91.13 -54.02 4.12 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.4 t60 72.49 -47.37 0.67 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.548 1.539 . . . . 0.0 112.009 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.81 135.9 51.31 Favored Glycine 0 N--CA 1.44 -1.081 0 O-C-N 123.602 0.564 . . . . 0.0 112.224 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.07 -46.7 80.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 123.634 0.773 . . . . 0.0 111.635 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.4 -42.05 88.43 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.015 0.436 . . . . 0.0 110.716 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 28' ' ' ARG . 37.3 mmt180 -69.2 -38.21 78.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.974 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.49 -40.77 85.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -58.16 -37.97 75.74 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.726 0.81 . . . . 0.0 110.304 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 30.4 tpt180 -58.62 -48.68 80.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.674 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 79.0 m -63.89 -47.39 80.82 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.251 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.07 -25.66 67.82 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.429 0.692 . . . . 0.0 112.203 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.36 -55.7 4.17 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -41.89 83.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.2 m -70.96 -28.95 64.84 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 122.102 -0.374 . . . . 0.0 111.211 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.27 -27.28 35.2 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.045 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -62.4 -43.66 98.3 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -70.28 -33.25 71.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.566 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 9' ' ' TYR . 31.2 tp -60.16 -53.23 60.25 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' HD3' ' OE2' ' A' ' 41' ' ' GLU . 12.5 tpp180 -56.13 -44.1 78.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.196 1.398 . . . . 0.0 111.377 -176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -75.34 -27.75 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.09 -41.27 50.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.462 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 38' ' ' ARG . 23.2 pt-20 -71.18 -24.56 62.26 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.079 0.466 . . . . 0.0 110.403 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.19 -36.02 32.42 Favored Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.472 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -79.22 -46.38 17.98 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.069 0.461 . . . . 0.0 109.843 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -116.38 114.37 24.19 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.86 79.49 9.22 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.8 t 61.37 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.77 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.316 178.312 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 N--CA 1.445 -1.355 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -113.62 154.19 27.61 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.31 144.88 5.55 Favored Glycine 0 C--N 1.301 -1.411 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.2 m 65.62 101.7 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.739 1.216 . . . . 0.0 110.864 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -49.86 -34.93 38.34 Favored 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 123.766 2.978 . . . . 0.0 114.144 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -54.27 -28.66 43.23 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.9 p -66.08 -45.12 82.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.986 0.422 . . . . 0.0 111.337 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.19 -39.45 82.47 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.457 0.646 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -63.26 -45.02 93.47 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.661 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 14' ' ' VAL . 33.4 tt0 -63.98 -44.87 91.39 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.169 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.65 87.06 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.174 0.59 . . . . 0.0 110.753 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.09 -42.72 86.25 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.989 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 27.8 mmm180 -68.56 -42.17 78.72 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.244 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 10' ' ' GLU . 74.0 t -58.82 -42.56 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.198 0.599 . . . . 0.0 111.007 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -60.52 -40.83 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 110.377 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -72.01 -28.89 63.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 77.3 mt-30 -67.32 -38.43 84.9 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.48 0.181 . . . . 0.0 110.714 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.45 -44.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.86 -54.95 4.34 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.18 -60.29 2.42 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 t60 69.82 -55.47 0.59 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.72 1.208 . . . . 0.0 113.282 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.99 148.1 40.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.51 -46.79 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.901 1.281 . . . . 0.0 112.515 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.49 -45.66 93.31 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.74 -39.8 80.16 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.304 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -50.39 68.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.086 0.954 . . . . 0.0 108.778 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -57.15 -36.56 70.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.897 0.879 . . . . 0.0 111.53 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -66.83 -50.79 61.46 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.35 -33.84 74.3 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.075 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -59.46 -39.26 83.05 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.65 0.78 . . . . 0.0 109.512 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.13 -52.88 7.24 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.345 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.29 -50.84 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 123.166 0.586 . . . . 0.0 112.058 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.7 -32.21 73.63 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.996 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.42 -46.64 38.78 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.37 -46.08 90.27 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.969 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -64.2 -35.68 81.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.605 0.241 . . . . 0.0 111.164 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.54 -43.61 76.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -65.86 -30.47 71.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.128 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.13 -36.15 66.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.022 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -62.27 -49.18 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.203 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.31 -13.41 76.69 Favored Glycine 0 C--N 1.309 -0.964 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.805 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 2.6 tpm_? -82.72 -7.93 59.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.401 0.619 . . . . 0.0 110.066 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -136.15 176.08 9.02 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -97.4 107.75 20.32 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -95.72 84.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 CA-C-O 122.186 0.993 . . . . 0.0 112.713 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo . . . . . 0 N--CA 1.444 -1.422 0 N-CA-C 108.311 -1.457 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -131.14 142.73 50.27 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.69 -30.79 47.1 Favored Glycine 0 N--CA 1.431 -1.645 0 O-C-N 123.925 0.765 . . . . 0.0 111.872 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.8 t -105.51 104.91 50.47 Favored Pre-proline 0 N--CA 1.428 -1.545 0 CA-C-O 121.111 0.482 . . . . 0.0 110.147 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.83 2.25 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 122.575 2.184 . . . . 0.0 110.547 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.11 -33.3 62.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.945 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -62.59 -42.7 99.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.314 0.578 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.86 -38.71 79.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.83 -46.04 86.88 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.454 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.8 mt-10 -73.42 -26.26 60.88 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.282 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.34 90.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -60.36 -43.44 96.54 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.212 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.63 -40.47 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 10' ' ' GLU . 79.2 t -63.4 -38.09 81.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -59.14 -44.0 92.04 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.289 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 86.4 m -65.54 -33.8 76.76 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -67.27 -34.98 78.56 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.778 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.47 -42.4 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.47 6.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 8.5 mm-40 -71.86 -55.93 6.66 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 55.88 85.58 0.07 Allowed 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.741 1.217 . . . . 0.0 112.323 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . 175.73 143.38 4.59 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.69 -46.82 83.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 C-N-CA 123.288 0.635 . . . . 0.0 111.902 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.92 -45.84 87.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.217 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 50.6 mtt180 -70.82 -20.83 62.52 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 99.2 mt-30 -67.02 -43.98 81.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -69.04 -37.41 78.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.503 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -53.61 -60.21 3.61 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.129 174.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.77 -22.98 65.17 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -61.42 -41.29 96.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 10.5 mm100 -86.9 -52.42 5.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.291 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 93.3 t -59.74 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 123.381 0.672 . . . . 0.0 112.645 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -67.9 -23.79 65.14 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.745 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.86 -44.77 65.69 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 92.6 mttt -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.77 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.575 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 79.0 mtp180 -60.41 -41.64 94.33 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.931 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 3.4 tm? -62.06 -45.48 93.35 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.252 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.8 -22.53 59.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.288 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.575 ' OE1' ' HA ' ' A' ' 36' ' ' ARG . 46.9 mt-10 -60.87 -46.7 89.57 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 174.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 23.1 mtp-105 -57.3 -50.62 72.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.933 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -58.07 -43.0 86.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.018 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -13.54 82.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.952 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -94.58 -20.62 19.45 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 51.8 mtm180 -95.09 118.72 32.37 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.484 -177.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -96.48 25.89 4.76 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.994 0.902 . . . . 0.0 108.671 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -146.98 151.52 13.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.316 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.435 -1.947 0 N-CA-C 109.218 -1.108 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -101.6 176.38 5.25 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.76 -68.18 3.1 Favored Glycine 0 C--N 1.304 -1.198 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m -118.99 97.14 50.66 Favored Pre-proline 0 N--CA 1.429 -1.522 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -83.55 -22.3 3.87 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 121.931 1.754 . . . . 0.0 112.216 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.482 ' NH1' HD11 ' A' ' 37' ' ' LEU . 35.3 mmt180 -68.69 -33.61 74.24 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -73.02 -28.31 62.28 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.74 -45.08 68.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -39.23 91.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.535 176.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 33.9 tt0 -65.05 -42.77 93.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.13 75.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -63.78 -39.45 94.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HG2' ' HA ' ' A' ' 30' ' ' GLN . 39.8 mtp180 -65.41 -51.42 60.44 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.079 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.61 -33.52 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -59.18 -48.45 81.57 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.996 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.08 -30.26 70.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -31.61 72.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.8 -58.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.95 87.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -85.37 -37.89 19.36 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 62.64 99.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.02 1.328 . . . . 0.0 111.912 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.68 145.84 4.21 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.66 -43.51 90.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 122.637 0.375 . . . . 0.0 110.981 -177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.62 -45.77 81.82 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.391 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.98 -45.26 93.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.445 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -61.71 -40.38 94.83 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.276 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -61.89 -47.44 84.98 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.686 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.5 tt0 -57.98 -43.49 86.56 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -69.8 -52.15 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 123.482 0.489 . . . . 0.0 109.725 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -58.81 -49.52 82.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.741 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.65 -27.17 64.82 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 122.285 -0.259 . . . . 0.0 111.103 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -74.04 -38.98 63.85 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -63.06 -45.87 90.16 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.867 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -53.18 -48.42 68.06 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.893 0.477 . . . . 0.0 110.909 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD11 ' NH1' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -68.45 -40.54 81.07 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.753 -177.133 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.49 -36.78 76.83 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 46.1 mt-10 -69.36 -29.13 66.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 73.2 ttt180 -66.97 -38.59 86.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 43.8 mt-10 -67.63 -32.13 72.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.405 174.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.45 -24.14 76.77 Favored Glycine 0 C--O 1.222 -0.651 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.758 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 30.4 mmm180 -79.21 -26.66 42.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -66.17 149.48 50.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.585 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.86 101.02 11.04 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -73.66 130.09 36.0 Favored 'Isoleucine or valine' 0 C--O 1.249 1.056 0 CA-C-O 121.212 0.529 . . . . 0.0 111.03 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--N 1.296 -1.722 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.805 -176.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 N--CA 1.45 -1.036 0 N-CA-C 108.331 -1.45 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -130.95 168.01 18.06 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.41 -148.96 9.07 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -58.47 110.06 2.31 Favored Pre-proline 0 N--CA 1.444 -0.737 0 O-C-N 124.441 0.73 . . . . 0.0 110.279 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.56 -4.72 13.08 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.146 2.564 . . . . 0.0 112.534 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.45 -19.91 63.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.611 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -60.39 -32.38 71.26 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -71.75 -46.14 59.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.952 0.882 . . . . 0.0 108.868 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.45 -49.66 75.91 Favored 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 125.836 1.654 . . . . 0.0 111.896 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.15 -42.3 80.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.06 79.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.3 -39.65 87.71 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.896 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.92 -38.71 69.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.81 -45.6 80.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -52.22 -54.62 28.74 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.191 0.997 . . . . 0.0 110.777 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 94.8 m -70.35 -25.36 63.24 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.95 -38.22 72.84 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.395 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.63 -48.66 20.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.725 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.04 4.72 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 12.0 mm-40 -72.62 -39.16 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 t60 70.18 103.1 0.06 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.884 1.274 . . . . 0.0 110.959 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.1 149.91 5.4 Favored Glycine 0 N--CA 1.423 -2.208 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.119 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 49.7 t -70.27 -42.33 78.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.911 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.64 -32.75 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -68.05 -39.41 83.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -63.99 -44.54 92.36 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.79 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 79.5 mtp180 -62.22 -34.95 77.45 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.809 0.444 . . . . 0.0 111.507 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.595 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.47 -34.36 74.25 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.972 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -58.18 -49.49 76.86 Favored 'General case' 0 C--O 1.204 -1.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.111 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -56.05 -49.0 74.96 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.807 0.692 . . . . 0.0 110.985 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.15 -45.58 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.277 0.561 . . . . 0.0 111.173 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.7 m -77.53 -17.54 57.84 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.37 -32.66 60.91 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.48 -41.49 88.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -63.21 -44.25 95.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.223 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -42.93 98.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.476 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -61.85 -37.22 83.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.934 0.494 . . . . 0.0 110.112 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 14.2 mm-40 -71.33 -48.6 49.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.591 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -59.56 -56.2 24.91 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.2 -19.9 63.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.688 0.395 . . . . 0.0 111.329 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.23 -34.31 51.7 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 20.1 mmt180 -95.19 -25.76 16.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.377 0.608 . . . . 0.0 109.438 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -81.92 126.09 31.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.417 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 56.33 44.15 25.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.935 0.894 . . . . 0.0 110.933 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.7 p -88.67 138.56 18.94 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--N 1.302 -1.469 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.299 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.434 -1.978 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -111.78 171.36 7.54 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.22 -176.02 44.94 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 175.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.561 ' O ' HG21 ' A' ' 7' ' ' THR . 13.6 m -78.09 159.74 75.03 Favored Pre-proline 0 C--N 1.297 -1.69 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.27 -23.6 18.57 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 123.037 2.491 . . . . 0.0 112.765 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -55.53 -41.26 72.94 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.533 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.561 HG21 ' O ' ' A' ' 4' ' ' SER . 5.9 t -64.51 -26.64 68.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.83 -54.24 14.46 Favored 'General case' 0 C--O 1.243 0.72 0 O-C-N 123.12 0.263 . . . . 0.0 110.931 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -74.01 -29.24 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.681 -176.029 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.88 -36.53 80.4 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.98 70.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.209 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.6 t -62.0 -43.52 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.09 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.92 -47.41 85.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.97 -42.67 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.862 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -59.74 -50.24 74.62 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.653 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.0 m -65.24 -35.86 82.34 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.18 -20.45 59.31 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.399 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.96 -57.67 4.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.976 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.44 48.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -80.64 -52.06 8.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.97 92.34 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.62 1.568 . . . . 0.0 111.434 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.55 149.88 6.14 Favored Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.07 -51.13 57.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.049 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.91 -40.32 72.89 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.008 0.923 . . . . 0.0 109.351 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -70.66 -35.12 72.69 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.071 -176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.93 -32.42 63.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.04 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -61.97 -41.49 98.06 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.68 -51.74 68.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.946 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.24 -30.44 71.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' HG3' ' OE1' ' A' ' 34' ' ' GLU . 33.7 tt0 -63.2 -42.63 99.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.282 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 49.0 tt0 -63.99 -33.92 76.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.04 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 55.8 t -81.54 -62.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.149 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . 0.27 88.4 m -74.02 -41.39 61.91 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -170.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' OE1' ' HG3' ' A' ' 30' ' ' GLN . 1.5 mp0 -63.58 -36.27 83.23 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.969 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 28.5 ttpp -71.27 -37.23 71.9 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.915 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 78.0 mtp180 -59.24 -46.68 87.84 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' A' ' 9' ' ' TYR . 3.1 tm? -64.43 -36.35 83.87 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.16 0.505 . . . . 0.0 109.817 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.93 -40.84 96.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.973 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 15.7 mm-40 -79.84 -32.91 40.56 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -50.4 -52.87 33.69 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 125.506 1.522 . . . . 0.0 109.698 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.41 -32.15 22.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.64 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.84 -35.72 91.23 Favored Glycine 0 N--CA 1.461 0.339 0 CA-C-N 116.615 -0.266 . . . . 0.0 113.51 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 -92.93 -15.78 25.91 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 59.16 80.39 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.914 1.286 . . . . 0.0 111.455 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -132.0 29.14 4.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.4 m -93.42 151.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.25 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--N 1.3 -1.586 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 176.563 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.446 -1.305 0 N-CA-C 108.284 -1.468 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.34 171.36 14.39 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.34 169.87 27.41 Favored Glycine 0 N--CA 1.434 -1.461 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 p -84.66 117.14 68.06 Favored Pre-proline 0 C--N 1.3 -1.568 0 CA-C-N 118.31 1.055 . . . . 0.0 111.138 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.09 -43.32 54.65 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.687 2.258 . . . . 0.0 111.455 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -53.87 -40.69 66.77 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.139 -0.937 . . . . 0.0 113.164 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -75.59 -35.81 60.48 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.449 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -65.67 -45.26 83.57 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -62.4 -46.99 86.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.307 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 14' ' ' VAL . 39.7 tt0 -57.5 -46.19 84.05 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.136 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.1 78.01 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.843 0.457 . . . . 0.0 111.49 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.87 -38.53 86.5 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 43.8 mtp180 -68.68 -46.35 69.29 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.037 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 10' ' ' GLU . 91.2 t -57.75 -37.49 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.121 0.568 . . . . 0.0 110.569 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -54.4 -52.94 60.14 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -67.96 -28.64 67.63 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.578 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.5 mt-30 -67.29 -25.82 66.23 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.727 0.299 . . . . 0.0 111.509 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.51 -48.64 11.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.884 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -55.23 11.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.764 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' OE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 mm-40 -79.08 -52.01 8.78 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 71.42 -41.76 0.51 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.485 1.914 . . . . 0.0 113.203 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 134.29 52.45 Favored Glycine 0 N--CA 1.444 -0.824 0 O-C-N 123.211 0.319 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.22 -42.02 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 124.222 1.009 . . . . 0.0 112.415 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.71 -50.23 73.9 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.057 0.456 . . . . 0.0 111.101 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 80.8 mtm180 -73.18 -27.25 61.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.842 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.49 -50.02 71.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.85 -34.62 78.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.945 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.07 -51.04 70.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.98 -26.08 68.67 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.864 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.39 -47.88 78.05 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.83 -38.22 38.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.87 -49.69 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.136 0.493 . . . . 0.0 109.961 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.8 m -69.98 -29.31 66.38 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.0 tt0 -68.42 -45.19 73.28 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 24.5 ttmm -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.188 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.36 -37.18 79.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.006 0.432 . . . . 0.0 110.143 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.32 -42.31 72.13 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 33.4 mmt180 -61.52 -36.82 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 111.306 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 10.5 mm-40 -71.41 -36.2 71.26 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.116 0.484 . . . . 0.0 110.192 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -68.68 -47.88 65.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.9 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 8.3 pt-20 -67.52 -37.07 82.22 Favored 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.464 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.64 73.86 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -71.07 -29.17 64.98 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 122.847 0.459 . . . . 0.0 110.274 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -92.71 -57.24 2.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.13 0.49 . . . . 0.0 109.947 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -96.81 102.44 14.22 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.26 153.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.904 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.304 -1.378 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -178.316 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.442 -1.535 0 N-CA-C 107.946 -1.598 . . . . 0.0 107.946 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -71.24 119.51 15.48 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 123.681 0.613 . . . . 0.0 109.629 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.52 -76.07 2.28 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.55 ' O ' HG23 ' A' ' 7' ' ' THR . 62.7 p -176.88 164.92 1.52 Allowed Pre-proline 0 C--N 1.309 -1.175 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.39 -34.38 44.03 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.495 1.463 . . . . 0.0 109.872 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.2 -42.23 76.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.314 . . . . 0.0 112.874 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 4' ' ' SER . 12.3 t -56.69 -36.42 69.6 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.58 -54.12 15.59 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.284 0.564 . . . . 0.0 109.724 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -62.34 -48.92 77.68 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.539 -175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.16 -47.72 84.88 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.26 90.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.524 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.76 -40.68 80.3 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.363 0.665 . . . . 0.0 110.965 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -39.35 83.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.04 -55.27 32.86 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.166 0.586 . . . . 0.0 110.701 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.9 m -72.35 -21.85 61.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.2 -39.19 89.49 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.16 -37.16 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.612 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -56.69 4.47 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -74.92 -47.27 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.732 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.7 t60 71.96 -50.16 0.69 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.778 1.231 . . . . 0.0 112.302 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.37 133.07 25.69 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.43 -39.69 70.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -173.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.28 -50.64 72.88 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -74.15 -32.13 63.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -68.14 -40.21 82.49 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -62.76 -34.05 76.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.51 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -66.49 -50.74 62.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.78 -49.32 68.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.67 -30.09 69.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.27 -38.93 71.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.68 -40.35 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 69.5 m -58.74 -47.12 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.162 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.31 -26.41 55.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.681 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 18.5 tppt? -62.45 -52.47 63.41 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -65.84 -30.57 71.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.104 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.3 tm? -66.44 -42.73 87.2 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.876 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -64.82 -35.38 80.91 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 40.8 mt-10 -64.48 -49.01 73.04 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -54.82 -43.43 72.95 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.445 1.098 . . . . 0.0 111.021 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 31.6 mt-10 -63.67 -39.39 94.21 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.21 -16.26 76.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.057 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 96.5 mtt180 -85.25 -29.09 24.91 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -78.76 -48.84 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -108.35 93.38 4.49 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.83 -31.43 4.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.837 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.31 -1.116 0 O-C-N 122.174 -0.329 . . . . 0.0 110.442 -178.128 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.447 -1.255 0 N-CA-C 108.82 -1.261 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -96.97 175.26 6.4 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.02 -19.11 79.8 Favored Glycine 0 C--O 1.243 0.695 0 CA-C-O 119.803 -0.443 . . . . 0.0 113.633 -176.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.0 m -52.88 120.51 19.39 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.91 -24.0 46.65 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.673 2.915 . . . . 0.0 114.649 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 66.54 -59.37 0.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.07 1.348 . . . . 0.0 113.137 -175.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -50.55 -41.45 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 123.838 0.855 . . . . 0.0 112.458 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -56.77 -49.78 74.27 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.73 0.776 . . . . 0.0 111.67 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -73.57 -49.84 24.32 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.247 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.79 -53.03 62.65 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.421 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.95 85.14 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.4 t -57.21 -46.97 82.42 Favored 'General case' 0 C--O 1.273 2.29 0 CA-C-O 121.339 0.59 . . . . 0.0 110.737 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -65.28 -48.77 72.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.332 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.35 -41.24 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.005 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -52.78 -53.1 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.263 0.625 . . . . 0.0 110.593 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 85.3 m -75.79 -27.39 57.98 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.302 -0.959 . . . . 0.0 113.231 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.35 -31.07 70.19 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.713 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -96.82 -50.44 11.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.919 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.95 46.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 10.1 mm-40 -83.48 -57.03 3.41 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 59.01 92.91 0.04 OUTLIER 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.518 1.527 . . . . 0.0 112.094 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.04 152.92 8.51 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.94 -49.47 83.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-N 117.716 0.758 . . . . 0.0 111.284 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.73 -42.76 99.82 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.202 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -64.75 -44.42 90.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.756 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.35 -53.41 55.48 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -67.52 -31.21 71.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -66.74 -50.5 62.55 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.47 -43.87 88.94 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.79 -37.77 71.59 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 122.911 0.485 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.28 -43.08 99.47 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 123.612 0.57 . . . . 0.0 110.178 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.48 -43.4 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.931 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.54 -44.2 85.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.874 0.47 . . . . 0.0 110.099 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -58.89 -48.09 82.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.491 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 34.2 ttpt -61.73 -49.78 75.07 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.035 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 HH21 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -55.22 -40.54 70.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.558 0.743 . . . . 0.0 111.671 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.23 -39.31 75.16 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -67.51 -31.71 72.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.964 0.411 . . . . 0.0 110.626 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.6 mt-10 -65.04 -35.48 81.3 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 36.8 mmt180 -68.6 -30.87 69.71 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -69.41 -41.08 76.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.77 -53.35 4.63 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.378 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -66.82 -37.76 85.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.934 0.397 . . . . 0.0 111.115 -176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 99.2 mtt180 -99.86 108.99 21.39 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.77 100.6 12.14 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.68 70.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-O 121.812 0.815 . . . . 0.0 110.37 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.297 -1.682 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.598 176.521 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo . . . . . 0 N--CA 1.44 -1.666 0 N-CA-C 108.498 -1.385 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.91 95.82 10.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.77 12.12 1.48 Allowed Glycine 0 C--N 1.295 -1.741 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.2 m -85.75 148.22 48.12 Favored Pre-proline 0 N--CA 1.419 -2.018 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.997 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.12 -51.29 10.27 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.941 3.094 . . . . 0.0 115.544 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.7 -34.55 64.9 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 122.104 -0.372 . . . . 0.0 111.552 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -75.96 -31.91 59.26 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.444 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.0 -46.38 81.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.68 77.04 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.803 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' OE1' ' HD3' ' A' ' 13' ' ' ARG . 7.1 tp10 -74.68 -42.99 57.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 109.76 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.4 70.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.97 -34.62 73.54 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 123.49 0.716 . . . . 0.0 109.627 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 10' ' ' GLU . 76.6 mtp180 -75.59 -41.92 53.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.788 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.32 -39.39 84.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 CA-C-O 121.721 0.772 . . . . 0.0 109.704 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -56.22 -46.61 79.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.248 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.32 -26.16 65.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.51 -42.83 99.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.11 -36.55 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.61 -60.41 2.19 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.07 -48.48 70.86 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 62.61 99.18 0.03 OUTLIER 'General case' 0 C--O 1.249 1.055 0 O-C-N 124.826 1.329 . . . . 0.0 110.24 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.69 134.71 1.83 Allowed Glycine 0 N--CA 1.423 -2.173 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 41.4 t -63.77 -50.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -176.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.61 -24.29 62.72 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.001 0.429 . . . . 0.0 110.046 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.37 -35.75 63.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.12 0.486 . . . . 0.0 109.928 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -42.17 84.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 49.6 mtp180 -66.86 -32.7 74.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.439 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.12 -44.79 96.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.04 -31.96 73.15 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.841 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -59.26 -50.96 72.01 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 7.3 tt0 -57.28 -54.28 48.62 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.7 0.625 . . . . 0.0 110.558 177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.65 -52.49 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.522 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.43 -28.24 67.72 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 122.341 -0.224 . . . . 0.0 110.512 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.9 -43.41 83.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 56.1 mtpt -66.43 -43.26 86.13 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.492 178.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.934 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.35 -40.28 85.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -59.24 -42.96 92.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.815 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.71 -34.9 65.02 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.002 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.88 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.11 -38.41 44.06 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.714 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.67 -35.14 66.95 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 114.773 0.669 . . . . 0.0 114.773 -173.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.65 -19.04 60.44 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 117.716 0.758 . . . . 0.0 110.97 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -93.63 -42.97 8.9 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.74 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.23 97.01 6.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.99 136.48 60.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--N 1.297 -1.713 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 175.007 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo . . . . . 0 N--CA 1.491 1.337 0 N-CA-C 113.913 0.697 . . . . 0.0 113.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -106.52 -22.78 12.68 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.158 0.504 . . . . 0.0 111.254 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -48.36 -49.15 35.65 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.75 -41.35 97.56 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.627 0.648 . . . . 0.0 111.163 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -71.26 -51.01 26.93 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.748 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.53 -51.16 70.63 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.18 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.42 71.57 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -65.01 -45.1 86.95 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -65.6 -42.08 92.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.952 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.17 -46.35 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -54.92 -54.37 43.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.377 0.671 . . . . 0.0 109.718 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 70.8 m -73.32 -15.44 61.39 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.718 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -77.39 -38.18 50.42 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.07 -53.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.18 59.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 25' ' ' ARG . 18.7 mm-40 -93.42 -61.44 1.56 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.704 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 54.82 85.42 0.06 Allowed 'General case' 0 C--O 1.251 1.174 0 C-N-CA 123.926 0.89 . . . . 0.0 111.252 -175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.95 147.56 6.08 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.0 t -64.56 -48.45 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.16 0.48 . . . . 0.0 111.773 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.16 -43.17 99.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.568 0.699 . . . . 0.0 110.107 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 55.9 mtt-85 -70.92 -32.97 70.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.279 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.69 -42.92 90.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 65.4 mtp180 -57.97 -47.22 83.59 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.586 0.554 . . . . 0.0 109.804 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.35 -55.35 34.49 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 124.127 0.892 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.23 -44.47 96.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.793 0.683 . . . . 0.0 110.921 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.45 -48.79 79.54 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.309 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.75 -40.23 75.41 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.14 -45.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 119.469 -0.892 . . . . 0.0 111.159 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -73.03 -31.87 64.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.64 -38.89 77.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.86 -43.56 71.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -55.43 -44.98 76.8 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.28 0.363 . . . . 0.0 110.521 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.09 -56.56 17.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.714 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.71 -40.15 96.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.996 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.63 -34.52 69.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.124 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -71.2 -52.91 16.47 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 123.186 0.304 . . . . 0.0 110.271 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 . . . . . 0 C--N 1.316 -0.869 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.843 -179.652 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--O 1.237 0.467 0 CA-C-O 121.057 0.357 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 15.4 ptm180 -56.51 -22.64 34.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.988 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -56.56 -44.22 80.72 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 123.295 0.638 . . . . 0.0 111.422 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.11 -39.04 92.57 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.0 0.905 . . . . 0.0 109.817 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -66.99 -46.42 74.64 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.143 -1.39 . . . . 0.0 111.21 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.6 mt-10 -70.74 -36.18 73.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.89 92.85 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 28.9 t -57.55 -41.56 81.22 Favored 'General case' 0 C--O 1.246 0.893 0 C-N-CA 123.519 0.727 . . . . 0.0 111.115 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 50.1 mtm180 -65.19 -54.18 33.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.475 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.16 -36.48 77.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -54.08 -52.66 60.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.995 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.1 m -67.35 -27.31 67.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.709 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 96.0 mt-30 -64.93 -37.95 89.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -87.94 -57.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.594 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -49.28 22.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 23.3 mm-40 -75.55 -48.27 23.16 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.12 -177.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 62.38 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.876 1.271 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.15 154.01 6.57 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.41 -54.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.378 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -30.01 70.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.774 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -57.47 -50.47 72.93 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.192 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -65.83 -44.99 83.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.434 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.516 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 16.9 mmt180 -62.37 -37.37 85.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.527 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 ttm180 -70.09 -39.75 75.38 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.665 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.36 -38.84 88.41 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 53.1 tp60 -55.29 -54.37 44.42 Favored 'General case' 0 C--O 1.196 -1.72 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 74.1 mt-30 -55.62 -50.25 70.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.702 0.626 . . . . 0.0 111.742 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 28' ' ' ARG . 48.7 t -65.28 -49.53 78.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.148 0.499 . . . . 0.0 111.209 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.38 -26.35 60.05 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.58 -40.38 66.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 39.5 ttpt -62.36 -42.25 99.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -67.28 -35.81 80.25 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.78 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.3 -40.75 98.23 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -65.35 -27.99 68.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.161 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.8 mt-10 -67.73 -42.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -66.91 -38.6 86.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.44 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--O 1.235 0.302 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.843 174.261 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 CA--C 1.536 0.614 0 N-CA-C 113.904 0.694 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -67.38 -39.74 85.66 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -73.19 -29.71 63.02 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.375 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.12 -44.16 97.77 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.58 -46.27 83.43 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.853 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.43 -47.4 85.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.63 76.41 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.081 0.552 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.34 -38.8 90.89 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 55.3 mtp180 -66.84 -50.56 62.18 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.488 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.22 -38.73 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.788 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -53.18 -54.55 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.538 0.735 . . . . 0.0 109.926 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.35 -30.58 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 78.8 mt-30 -61.79 -30.5 70.85 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.067 0.46 . . . . 0.0 111.131 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.41 -55.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.48 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.18 -59.44 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 15.5 mm-40 -71.74 -50.15 32.71 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.112 0.257 . . . . 0.0 110.424 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 54.52 84.83 0.06 Allowed 'General case' 0 C--O 1.244 0.797 0 C-N-CA 124.605 1.162 . . . . 0.0 111.627 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.79 143.95 4.03 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.41 -46.65 85.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 123.925 0.89 . . . . 0.0 112.657 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.77 -55.32 35.68 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 82.7 mtt180 -70.12 -29.76 66.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.41 -176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.66 -49.24 66.83 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -61.74 -39.01 90.09 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.688 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -58.49 -59.01 6.03 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.368 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.2 m -60.24 -45.23 93.97 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.78 -47.33 74.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.568 0.347 . . . . 0.0 111.22 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.15 -39.62 93.24 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.461 0.475 . . . . 0.0 110.785 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.27 -47.01 82.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.355 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.51 -33.76 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.45 0.3 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.75 -43.7 83.43 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.653 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -65.22 -41.5 94.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.397 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.0 -42.39 99.09 Favored 'General case' 0 C--O 1.208 -1.121 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.492 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.64 -43.45 98.84 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.237 0.615 . . . . 0.0 110.492 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -60.34 -42.96 96.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.834 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -80.47 -26.32 38.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.63 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -57.71 -57.54 12.29 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 124.153 0.981 . . . . 0.0 108.95 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.44 -0.951 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.828 179.097 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo . . . . . 0 N--CA 1.475 0.424 0 N-CA-C 115.086 1.148 . . . . 0.0 115.086 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -91.69 -21.7 20.62 Favored 'General case' 0 CA--C 1.479 -1.775 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.685 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -67.73 -45.82 73.93 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.971 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.14 -44.33 95.03 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.422 1.106 . . . . 0.0 108.741 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD1' HD22 ' A' ' 37' ' ' LEU . 39.0 t80 -63.87 -55.29 23.86 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 113.848 -1.524 . . . . 0.0 112.186 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 13' ' ' ARG . 8.4 tp10 -67.01 -39.14 87.0 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.137 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.93 76.6 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 51.5 t -65.76 -41.01 92.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.869 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG2' ' HG2' ' A' ' 30' ' ' GLN . 51.6 mtp180 -66.63 -46.29 76.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.25 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.57 -45.05 98.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.05 -54.58 43.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 111.05 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.32 -26.03 62.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.72 -28.34 69.52 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.73 -60.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.97 -53.54 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.33 -50.2 41.52 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.431 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.1 t60 58.62 73.95 0.46 Allowed 'General case' 0 C--O 1.244 0.786 0 O-C-N 124.468 1.105 . . . . 0.0 110.514 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.59 137.52 2.38 Favored Glycine 0 N--CA 1.43 -1.751 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 61.4 t -60.32 -50.54 79.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 C-N-CA 123.224 0.61 . . . . 0.0 110.956 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 35.1 tt0 -57.6 -50.35 73.43 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.807 0.843 . . . . 0.0 110.042 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -62.63 -40.11 95.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 53.3 tt0 -67.4 -43.7 80.68 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.444 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 22.2 mtm180 -64.68 -34.38 78.17 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.179 0.299 . . . . 0.0 110.513 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 20.3 mmm180 -58.6 -47.76 83.23 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.226 175.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.3 m -60.48 -47.88 84.21 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.106 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 25.0 mt-30 -60.46 -39.89 89.23 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.159 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.16 -45.67 84.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 117.915 0.325 . . . . 0.0 111.177 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.78 -43.59 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.638 0.732 . . . . 0.0 110.142 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.7 m -75.29 -17.52 60.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.011 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 40.7 tt0 -73.03 -34.0 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.89 -49.93 68.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.82 -38.11 77.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 9' ' ' TYR . 41.4 tp -55.62 -60.12 3.88 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.336 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -67.94 -36.98 81.06 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.174 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -65.34 -46.99 78.04 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.342 0.401 . . . . 0.0 111.674 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.59 -40.12 88.76 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.774 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 13.0 pt-20 . . . . . 0 C--O 1.21 -0.988 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.108 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo . . . . . 0 N--CA 1.488 1.177 0 N-CA-C 113.538 0.553 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 14.0 ptt180 -60.4 -18.42 50.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.856 0.462 . . . . 0.0 111.193 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -60.19 -29.92 69.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.749 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.01 -42.54 99.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.87 0.843 . . . . 0.0 109.264 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 37' ' ' LEU . 13.3 t80 -64.2 -46.78 82.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.824 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -64.05 -44.85 91.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.054 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.67 88.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.311 0.577 . . . . 0.0 110.548 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -67.0 -39.28 87.07 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.865 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 9' ' ' TYR . 46.0 mtp180 -63.78 -50.38 69.26 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.03 -26.84 30.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.469 0.652 . . . . 0.0 111.355 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.21 -46.44 89.72 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.06 -22.93 63.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.663 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -65.96 -41.89 90.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.85 -36.44 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.76 -56.37 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.9 mm-40 -75.28 -57.19 4.04 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 56.66 96.22 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 112.749 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.24 152.63 7.04 Favored Glycine 0 CA--C 1.494 -1.238 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.91 -55.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 117.319 0.559 . . . . 0.0 111.859 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -68.41 -22.94 64.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 35.8 mmt180 -77.24 -42.91 35.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.49 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.1 -46.79 82.66 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.053 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.58 -45.21 89.52 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 123.963 0.789 . . . . 0.0 110.354 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -57.73 -54.76 43.24 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.897 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.38 -35.46 75.76 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.164 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.23 -44.3 92.34 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 121.296 -0.162 . . . . 0.0 110.837 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -72.19 -45.09 61.78 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.079 0.466 . . . . 0.0 110.511 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.92 -43.54 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.187 0.517 . . . . 0.0 111.343 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.1 m -72.0 -20.96 61.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 122.081 -0.387 . . . . 0.0 111.005 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.31 -31.67 48.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -67.96 -38.73 83.13 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.809 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.18 -41.51 97.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.707 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' TYR . 3.4 tm? -64.72 -38.35 90.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.376 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -64.06 -28.89 70.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.986 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 26.4 mm-40 -75.67 -48.0 23.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -52.81 -49.97 64.6 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.527 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.312 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 N--CA 1.449 -1.116 0 N-CA-C 114.374 0.874 . . . . 0.0 114.374 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.15 -35.53 80.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.7 p -68.51 -51.23 45.43 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 123.142 0.276 . . . . 0.0 111.46 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.03 -37.28 86.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 122.98 0.512 . . . . 0.0 111.405 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -65.84 -51.69 56.73 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.696 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.18 -33.38 73.28 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.505 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.96 88.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -58.4 -40.81 83.44 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -70.03 -45.72 66.56 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.85 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 18' ' ' VAL . 62.0 t -67.97 -37.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.282 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.36 -51.27 68.92 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.1 m -73.3 -25.7 60.76 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.1 -37.86 81.65 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 120.758 0.313 . . . . 0.0 110.427 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -94.25 -41.92 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.77 -46.83 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.892 -0.505 . . . . 0.0 112.169 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 7.5 mm-40 -79.62 -54.13 6.17 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 64.44 90.18 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.519 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.75 127.89 0.91 Allowed Glycine 0 N--CA 1.423 -2.226 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -52.22 -43.14 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.687 0.795 . . . . 0.0 111.494 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 11.4 pt-20 -58.01 -50.64 72.71 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.441 0.463 . . . . 0.0 111.417 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 66.8 mtt180 -74.07 -34.3 63.98 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.91 -44.67 94.16 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.46 -43.72 80.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.5 mmt180 -56.84 -47.45 80.3 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 122.558 0.343 . . . . 0.0 111.329 177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.17 -49.31 76.31 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 123.798 0.687 . . . . 0.0 110.653 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.2 -46.45 85.79 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.531 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -52.56 -51.71 58.43 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 123.669 0.606 . . . . 0.0 110.753 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 99.5 t -71.64 -48.79 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.554 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 70.8 m -62.99 -31.52 72.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.55 -38.38 59.29 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.3 tttm -61.99 -53.23 58.47 Favored 'General case' 0 N--CA 1.423 -1.814 0 O-C-N 123.313 0.383 . . . . 0.0 110.4 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 22.0 mtm180 -59.04 -36.98 75.92 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.491 0.662 . . . . 0.0 110.336 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.8 tm? -62.35 -52.34 64.03 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -61.13 -37.71 83.8 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.494 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 70.2 mm-40 -59.78 -43.96 94.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.473 0.654 . . . . 0.0 110.462 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -72.2 -24.41 61.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.032 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 24.4 mm-40 . . . . . 0 C--N 1.31 -1.15 0 CA-C-O 121.138 0.494 . . . . 0.0 109.692 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo . . . . . 0 N--CA 1.478 0.571 0 N-CA-C 112.993 0.343 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -58.72 -32.83 69.56 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.956 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -60.62 -43.99 96.83 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.498 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.73 -47.13 73.26 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.972 0.892 . . . . 0.0 109.287 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 37' ' ' LEU . 16.9 t80 -62.69 -49.17 76.18 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.277 -1.328 . . . . 0.0 112.053 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.96 -40.21 94.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.52 72.78 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.984 0.421 . . . . 0.0 110.291 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.48 -45.91 78.09 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -66.03 -47.53 74.12 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.684 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.94 -37.82 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.225 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -57.04 -48.9 77.41 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 84.7 m -71.1 -29.0 64.72 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.234 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.69 -40.48 95.45 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.055 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.73 -44.63 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.72 -42.74 17.67 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 17.1 mm-40 -77.43 -56.81 4.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 t60 71.1 -43.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.02 1.328 . . . . 0.0 112.952 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.27 141.4 45.8 Favored Glycine 0 N--CA 1.448 -0.524 0 O-C-N 123.048 0.218 . . . . 0.0 112.703 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.23 -32.98 55.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 123.008 0.523 . . . . 0.0 111.251 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.64 -41.61 65.29 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -63.23 -44.85 94.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.025 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.95 -32.44 73.69 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -64.43 -37.06 86.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.14 -48.25 68.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.9 m -59.71 -44.6 93.63 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 25.3 tt0 -54.47 -47.07 73.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -62.23 -53.39 55.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.716 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.95 -44.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.38 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.57 -31.94 71.5 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.337 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.9 tp10 -68.6 -41.68 79.24 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -59.9 -47.38 86.01 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.825 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.38 -44.22 84.29 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.647 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 67.7 tp -62.88 -49.65 74.0 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 123.611 0.569 . . . . 0.0 110.593 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.78 -30.89 71.6 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.85 -29.76 32.37 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.963 -0.46 . . . . 0.0 110.74 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -65.01 -43.52 92.23 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.436 -1.171 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 178.055 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.542 0.906 0 CA-C-O 120.747 0.228 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -54.96 -41.16 70.8 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.106 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -67.84 -30.88 70.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 22.5 mm-40 -66.85 -44.75 80.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.36 -42.55 79.03 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.484 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.1 -49.75 68.79 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.693 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.62 74.4 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.738 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -56.8 -44.12 81.61 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.55 0.691 . . . . 0.0 109.71 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -70.33 -46.3 64.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.22 -42.37 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.259 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -55.29 -43.87 75.17 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.881 0.472 . . . . 0.0 110.893 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 58.4 m -70.03 -32.06 70.02 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -68.2 -42.59 79.66 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.359 0.599 . . . . 0.0 109.768 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.64 -54.75 14.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.025 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.85 -49.41 8.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 16' ' ' CYS . 58.1 mm-40 -75.54 -52.05 11.53 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.225 -174.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.5 t60 59.2 103.45 0.02 OUTLIER 'General case' 0 C--O 1.248 1.005 0 C-N-CA 125.326 1.45 . . . . 0.0 112.299 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.6 4.01 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.34 -52.53 54.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -60.04 -42.3 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.447 0.641 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.03 -42.31 89.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.406 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -69.97 -39.73 75.81 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 123.077 0.551 . . . . 0.0 110.254 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.72 -38.77 91.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.175 0.59 . . . . 0.0 109.846 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 32.3 tpt180 -65.8 -51.97 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.606 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.45 -44.69 84.95 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.23 -31.8 71.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.153 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -71.13 -39.94 71.71 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ARG . 58.9 t -67.12 -48.16 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.107 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.33 -39.43 87.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.54 -40.99 89.37 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.556 0.694 . . . . 0.0 109.586 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -65.36 -49.66 68.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.49 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -65.71 -33.54 76.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.4 tm? -64.61 -43.51 93.51 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.39 -39.84 81.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -38.95 85.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 8' ' ' GLU . 34.2 ttt180 -65.1 -33.5 76.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.22 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 44.2 mt-10 . . . . . 0 N--CA 1.474 0.727 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.402 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.445 -1.362 0 CA-C-O 120.861 0.275 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.75 -29.0 64.03 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.151 0.501 . . . . 0.0 110.331 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -72.94 -34.89 66.83 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.396 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.63 -47.13 79.68 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.562 0.696 . . . . 0.0 109.143 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -62.9 -41.86 99.58 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.696 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.0 tt0 -65.93 -42.57 89.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.357 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.78 80.96 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.097 0.559 . . . . 0.0 110.621 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 40.6 t -56.58 -41.38 76.86 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.244 0.545 . . . . 0.0 110.939 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.41 -48.49 67.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.271 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.7 t -66.37 -39.82 85.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.948 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 95.1 m -74.34 -21.5 59.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.25 -43.51 98.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.37 -41.44 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.602 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.73 39.07 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 28.5 mm-40 -81.16 -47.56 13.29 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 60.82 81.05 0.2 Allowed 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.67 143.8 3.92 Favored Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.029 -1.629 . . . . 0.0 109.029 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.49 -49.34 81.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 117.132 0.466 . . . . 0.0 111.765 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.51 -41.36 76.15 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.812 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -65.0 -36.64 85.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.114 0.483 . . . . 0.0 111.282 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.35 -44.23 68.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.8 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -71.44 -26.81 62.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.908 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 32' ' ' VAL . 27.5 tpt180 -59.8 -51.65 68.81 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 72.8 m -60.12 -46.21 90.4 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.314 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -51.36 -49.11 62.1 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.677 0.611 . . . . 0.0 110.622 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -71.0 -44.66 65.45 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.894 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 28' ' ' ARG . 96.9 t -62.46 -47.2 94.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.187 0.518 . . . . 0.0 110.282 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -69.06 -28.53 66.62 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.347 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.66 -42.07 82.77 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 40.2 ttmt -59.67 -54.68 43.59 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.444 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.28 -35.99 72.61 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.171 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.21 -45.71 90.41 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -71.18 -35.94 71.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.958 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 17.5 mm-40 -62.52 -38.0 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -64.82 -37.98 89.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.608 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.31 -1.148 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.754 -179.145 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.876 -0.471 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -81.44 -44.68 17.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.538 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.3 p -69.77 -32.66 71.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -56.56 -48.89 76.35 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.306 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.599 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.2 t80 -67.93 -49.6 60.89 Favored 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.718 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.72 -50.8 69.36 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.785 0.678 . . . . 0.0 111.095 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.48 90.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.596 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.34 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.5 -48.58 39.45 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.951 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.2 t -60.9 -44.91 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 122.33 0.252 . . . . 0.0 111.162 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.312 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 m -67.3 -36.27 81.15 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.508 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.82 -27.66 66.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.401 0.619 . . . . 0.0 110.107 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 14' ' ' VAL . 62.9 t -80.77 -48.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.994 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.41 -43.91 14.22 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.11 -55.54 4.69 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 62.25 94.2 0.05 OUTLIER 'General case' 0 C--O 1.249 1.026 0 C-N-CA 124.816 1.246 . . . . 0.0 111.297 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.98 5.84 Favored Glycine 0 C--N 1.298 -1.528 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.3 t -72.1 -40.72 67.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 117.337 0.568 . . . . 0.0 110.618 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.87 -38.62 83.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -72.22 -32.91 67.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.403 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.62 -45.49 92.61 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 91.4 mtt180 -54.23 -36.01 63.06 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.682 0.793 . . . . 0.0 111.545 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 95.8 mtt180 -65.95 -60.03 3.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.77 -42.49 97.6 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.0 -40.52 73.49 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.417 0.687 . . . . 0.0 111.073 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -74.02 -36.43 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 111.135 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' ARG . 57.7 t -67.21 -46.2 84.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.7 m -63.28 -42.04 99.06 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.47 -40.68 97.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.21 0.604 . . . . 0.0 110.127 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 4.9 ttmp? -64.41 -44.58 90.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.138 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -73.51 -27.91 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.69 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' CD2' ' A' ' 9' ' ' TYR . 1.7 tt -59.29 -50.64 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -62.15 -36.68 82.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.29 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.2 mt-10 -68.25 -47.11 68.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.371 0.605 . . . . 0.0 110.475 176.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.192 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.216 -0.709 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.752 176.397 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.237 0.469 0 CA-C-O 120.825 0.26 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.71 -43.41 89.2 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.486 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -66.06 -34.78 78.85 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.861 0.839 . . . . 0.0 109.597 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.45 -39.21 85.37 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.937 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.44 -45.0 96.14 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.64 91.52 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.888 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 44.2 t -57.29 -39.19 75.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.133 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 47.8 mtm180 -68.41 -54.83 14.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.414 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.28 -38.67 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 111.327 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -61.63 -43.86 98.07 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.5 m -75.43 -17.62 60.12 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -70.0 -35.59 74.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.609 0.719 . . . . 0.0 109.124 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.03 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.552 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.31 67.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 24.8 mm-40 -91.13 -54.02 4.12 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.4 t60 72.49 -47.37 0.67 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.548 1.539 . . . . 0.0 112.009 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.81 135.9 51.31 Favored Glycine 0 N--CA 1.44 -1.081 0 O-C-N 123.602 0.564 . . . . 0.0 112.224 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.07 -46.7 80.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 123.634 0.773 . . . . 0.0 111.635 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.4 -42.05 88.43 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.015 0.436 . . . . 0.0 110.716 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 28' ' ' ARG . 37.3 mmt180 -69.2 -38.21 78.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.974 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.49 -40.77 85.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -58.16 -37.97 75.74 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.726 0.81 . . . . 0.0 110.304 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 30.4 tpt180 -58.62 -48.68 80.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.674 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 79.0 m -63.89 -47.39 80.82 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.251 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.07 -25.66 67.82 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.429 0.692 . . . . 0.0 112.203 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.36 -55.7 4.17 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -41.89 83.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.2 m -70.96 -28.95 64.84 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 122.102 -0.374 . . . . 0.0 111.211 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.27 -27.28 35.2 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.045 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -62.4 -43.66 98.3 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 47.5 mtm180 -70.28 -33.25 71.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.566 177.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 9' ' ' TYR . 31.2 tp -60.16 -53.23 60.25 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.506 ' HD3' ' OE2' ' A' ' 41' ' ' GLU . 12.5 tpp180 -56.13 -44.1 78.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.196 1.398 . . . . 0.0 111.377 -176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 9.3 pt-20 -75.34 -27.75 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.09 -41.27 50.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.462 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.506 ' OE2' ' HD3' ' A' ' 38' ' ' ARG . 23.2 pt-20 . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.079 0.466 . . . . 0.0 110.403 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.48 0.734 0 N-CA-C 114.144 0.786 . . . . 0.0 114.144 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -54.27 -28.66 43.23 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.9 p -66.08 -45.12 82.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.986 0.422 . . . . 0.0 111.337 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.19 -39.45 82.47 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.457 0.646 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -63.26 -45.02 93.47 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.661 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.4 tt0 -63.98 -44.87 91.39 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.169 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.65 87.06 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.174 0.59 . . . . 0.0 110.753 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.09 -42.72 86.25 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.989 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 27.8 mmm180 -68.56 -42.17 78.72 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.244 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLU . 74.0 t -58.82 -42.56 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.198 0.599 . . . . 0.0 111.007 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -60.52 -40.83 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 110.377 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -72.01 -28.89 63.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 77.3 mt-30 -67.32 -38.43 84.9 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.48 0.181 . . . . 0.0 110.714 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.45 -44.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.86 -54.95 4.34 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.18 -60.29 2.42 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 t60 69.82 -55.47 0.59 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.72 1.208 . . . . 0.0 113.282 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.99 148.1 40.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.51 -46.79 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.901 1.281 . . . . 0.0 112.515 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.49 -45.66 93.31 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.74 -39.8 80.16 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.304 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -50.39 68.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.086 0.954 . . . . 0.0 108.778 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -57.15 -36.56 70.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.897 0.879 . . . . 0.0 111.53 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -66.83 -50.79 61.46 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.35 -33.84 74.3 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.075 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -59.46 -39.26 83.05 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.65 0.78 . . . . 0.0 109.512 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.13 -52.88 7.24 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.345 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.29 -50.84 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 123.166 0.586 . . . . 0.0 112.058 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.7 -32.21 73.63 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.996 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.42 -46.64 38.78 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.37 -46.08 90.27 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.969 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -64.2 -35.68 81.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.605 0.241 . . . . 0.0 111.164 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.54 -43.61 76.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -65.86 -30.47 71.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.128 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.13 -36.15 66.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.022 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -62.27 -49.18 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.313 -1.017 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.203 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 N--CA 1.448 -1.168 0 CA-C-O 121.757 0.649 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.11 -33.3 62.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.945 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -62.59 -42.7 99.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.314 0.578 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.86 -38.71 79.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.83 -46.04 86.88 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.454 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.8 mt-10 -73.42 -26.26 60.88 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.282 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.34 90.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -60.36 -43.44 96.54 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.212 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.63 -40.47 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 10' ' ' GLU . 79.2 t -63.4 -38.09 81.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -59.14 -44.0 92.04 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.289 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 86.4 m -65.54 -33.8 76.76 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -67.27 -34.98 78.56 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.778 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.47 -42.4 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.47 6.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -71.86 -55.93 6.66 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 55.88 85.58 0.07 Allowed 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.741 1.217 . . . . 0.0 112.323 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . 175.73 143.38 4.59 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.69 -46.82 83.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 C-N-CA 123.288 0.635 . . . . 0.0 111.902 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.92 -45.84 87.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.217 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 50.6 mtt180 -70.82 -20.83 62.52 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 99.2 mt-30 -67.02 -43.98 81.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 61.2 ttp180 -69.04 -37.41 78.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.503 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.3 mmm180 -53.61 -60.21 3.61 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.129 174.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.77 -22.98 65.17 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 24.1 tt0 -61.42 -41.29 96.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 10.5 mm100 -86.9 -52.42 5.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.291 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 93.3 t -59.74 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 123.381 0.672 . . . . 0.0 112.645 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -67.9 -23.79 65.14 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.745 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.86 -44.77 65.69 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 92.6 mttt -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.77 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.585 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 79.0 mtp180 -60.41 -41.64 94.33 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.931 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 3.4 tm? -62.06 -45.48 93.35 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.252 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.8 -22.53 59.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.288 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' A' ' 36' ' ' ARG . 46.9 mt-10 -60.87 -46.7 89.57 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 174.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -57.3 -50.62 72.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.933 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 7.5 mm-40 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.018 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 N--CA 1.444 -1.422 0 CA-C-O 120.61 0.171 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 37' ' ' LEU . 35.3 mmt180 -68.69 -33.61 74.24 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -73.02 -28.31 62.28 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.74 -45.08 68.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -39.23 91.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.535 176.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 33.9 tt0 -65.05 -42.77 93.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.13 75.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -63.78 -39.45 94.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' ' HA ' ' A' ' 30' ' ' GLN . 39.8 mtp180 -65.41 -51.42 60.44 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.079 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.61 -33.52 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -59.18 -48.45 81.57 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.996 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.08 -30.26 70.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -62.56 -31.61 72.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.8 -58.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.95 87.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -85.37 -37.89 19.36 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 62.64 99.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.02 1.328 . . . . 0.0 111.912 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.68 145.84 4.21 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.66 -43.51 90.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 122.637 0.375 . . . . 0.0 110.981 -177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.62 -45.77 81.82 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.391 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.98 -45.26 93.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.445 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -61.71 -40.38 94.83 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.276 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -61.89 -47.44 84.98 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.686 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 47.1 tt0 -57.98 -43.49 86.56 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -69.8 -52.15 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 123.482 0.489 . . . . 0.0 109.725 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -58.81 -49.52 82.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.741 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.65 -27.17 64.82 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 122.285 -0.259 . . . . 0.0 111.103 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 30.6 tt0 -74.04 -38.98 63.85 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -63.06 -45.87 90.16 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.867 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -53.18 -48.42 68.06 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.893 0.477 . . . . 0.0 110.909 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' NH1' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -68.45 -40.54 81.07 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.753 -177.133 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.49 -36.78 76.83 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.36 -29.13 66.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 73.2 ttt180 -66.97 -38.59 86.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 43.8 mt-10 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.405 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo . . . . . 0 N--CA 1.461 -0.421 0 CA-C-O 121.511 0.546 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.45 -19.91 63.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.611 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -60.39 -32.38 71.26 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -71.75 -46.14 59.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.952 0.882 . . . . 0.0 108.868 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.45 -49.66 75.91 Favored 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 125.836 1.654 . . . . 0.0 111.896 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.15 -42.3 80.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.06 79.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.3 -39.65 87.71 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.896 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.92 -38.71 69.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.81 -45.6 80.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -52.22 -54.62 28.74 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.191 0.997 . . . . 0.0 110.777 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 94.8 m -70.35 -25.36 63.24 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.95 -38.22 72.84 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.395 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.63 -48.66 20.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.725 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.04 4.72 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 12.0 mm-40 -72.62 -39.16 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 t60 70.18 103.1 0.06 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.884 1.274 . . . . 0.0 110.959 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.1 149.91 5.4 Favored Glycine 0 N--CA 1.423 -2.208 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.119 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 49.7 t -70.27 -42.33 78.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.911 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.64 -32.75 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -68.05 -39.41 83.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -63.99 -44.54 92.36 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.79 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 79.5 mtp180 -62.22 -34.95 77.45 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.809 0.444 . . . . 0.0 111.507 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 28' ' ' ARG . 24.1 ttt180 -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.595 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.47 -34.36 74.25 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.972 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -58.18 -49.49 76.86 Favored 'General case' 0 C--O 1.204 -1.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.111 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -56.05 -49.0 74.96 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.807 0.692 . . . . 0.0 110.985 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.15 -45.58 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.277 0.561 . . . . 0.0 111.173 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.7 m -77.53 -17.54 57.84 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.37 -32.66 60.91 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.48 -41.49 88.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -63.21 -44.25 95.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.223 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -42.93 98.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.476 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -61.85 -37.22 83.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.934 0.494 . . . . 0.0 110.112 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.33 -48.6 49.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.591 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -59.56 -56.2 24.91 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 122.688 0.395 . . . . 0.0 111.329 179.162 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 N--CA 1.484 0.955 0 N-CA-C 112.765 0.256 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -55.53 -41.26 72.94 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.533 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -64.51 -26.64 68.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.83 -54.24 14.46 Favored 'General case' 0 C--O 1.243 0.72 0 O-C-N 123.12 0.263 . . . . 0.0 110.931 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.571 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -74.01 -29.24 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.681 -176.029 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.88 -36.53 80.4 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.98 70.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.209 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.6 t -62.0 -43.52 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.09 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.92 -47.41 85.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.97 -42.67 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.862 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -59.74 -50.24 74.62 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.653 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.0 m -65.24 -35.86 82.34 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.18 -20.45 59.31 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.399 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.96 -57.67 4.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.976 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.44 48.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -80.64 -52.06 8.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.97 92.34 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.62 1.568 . . . . 0.0 111.434 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.55 149.88 6.14 Favored Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.07 -51.13 57.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.049 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 1.3 mp0 -55.91 -40.32 72.89 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.008 0.923 . . . . 0.0 109.351 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 98.6 mtt180 -70.66 -35.12 72.69 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.071 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.93 -32.42 63.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.04 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -61.97 -41.49 98.06 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.68 -51.74 68.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.946 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.24 -30.44 71.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG3' ' OE1' ' A' ' 34' ' ' GLU . 33.7 tt0 -63.2 -42.63 99.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.282 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.44 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 49.0 tt0 -63.99 -33.92 76.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.04 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 55.8 t -81.54 -62.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.149 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . 0.27 88.4 m -74.02 -41.39 61.91 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -170.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE1' ' HG3' ' A' ' 30' ' ' GLN . 1.5 mp0 -63.58 -36.27 83.23 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.969 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 28.5 ttpp -71.27 -37.23 71.9 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.915 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 78.0 mtp180 -59.24 -46.68 87.84 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' A' ' 9' ' ' TYR . 3.1 tm? -64.43 -36.35 83.87 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.16 0.505 . . . . 0.0 109.817 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.93 -40.84 96.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.973 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 15.7 mm-40 -79.84 -32.91 40.56 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -50.4 -52.87 33.69 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 125.506 1.522 . . . . 0.0 109.698 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.64 177.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--O 1.237 0.453 0 CA-C-O 120.999 0.333 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 6.7 ptp180 -53.87 -40.69 66.77 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.139 -0.937 . . . . 0.0 113.164 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -75.59 -35.81 60.48 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.449 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -65.67 -45.26 83.57 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -62.4 -46.99 86.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.307 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.7 tt0 -57.5 -46.19 84.05 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.136 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.1 78.01 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.843 0.457 . . . . 0.0 111.49 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.87 -38.53 86.5 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 43.8 mtp180 -68.68 -46.35 69.29 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.037 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 10' ' ' GLU . 91.2 t -57.75 -37.49 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.121 0.568 . . . . 0.0 110.569 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -54.4 -52.94 60.14 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -67.96 -28.64 67.63 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.578 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.5 mt-30 -67.29 -25.82 66.23 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.727 0.299 . . . . 0.0 111.509 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.51 -48.64 11.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.884 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -55.23 11.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.764 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.531 ' OE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 mm-40 -79.08 -52.01 8.78 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 71.42 -41.76 0.51 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.485 1.914 . . . . 0.0 113.203 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 134.29 52.45 Favored Glycine 0 N--CA 1.444 -0.824 0 O-C-N 123.211 0.319 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.22 -42.02 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 124.222 1.009 . . . . 0.0 112.415 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.71 -50.23 73.9 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.057 0.456 . . . . 0.0 111.101 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 80.8 mtm180 -73.18 -27.25 61.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.842 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.49 -50.02 71.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.85 -34.62 78.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.945 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.07 -51.04 70.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.98 -26.08 68.67 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.864 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -56.39 -47.88 78.05 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.83 -38.22 38.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.87 -49.69 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.136 0.493 . . . . 0.0 109.961 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.8 m -69.98 -29.31 66.38 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.0 tt0 -68.42 -45.19 73.28 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 24.5 ttmm -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.188 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.36 -37.18 79.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.006 0.432 . . . . 0.0 110.143 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.32 -42.31 72.13 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 33.4 mmt180 -61.52 -36.82 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 111.306 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 10.5 mm-40 -71.41 -36.2 71.26 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.116 0.484 . . . . 0.0 110.192 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -68.68 -47.88 65.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.9 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 8.3 pt-20 . . . . . 0 C--O 1.204 -1.305 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.464 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.236 0.396 0 N-CA-C 109.872 -0.857 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.2 -42.23 76.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.314 . . . . 0.0 112.874 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -56.69 -36.42 69.6 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.58 -54.12 15.59 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.284 0.564 . . . . 0.0 109.724 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -62.34 -48.92 77.68 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.539 -175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.16 -47.72 84.88 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.26 90.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.524 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.76 -40.68 80.3 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.363 0.665 . . . . 0.0 110.965 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -39.35 83.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.04 -55.27 32.86 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.166 0.586 . . . . 0.0 110.701 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.9 m -72.35 -21.85 61.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.2 -39.19 89.49 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.16 -37.16 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.612 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -56.69 4.47 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -74.92 -47.27 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.732 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.7 t60 71.96 -50.16 0.69 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.778 1.231 . . . . 0.0 112.302 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.37 133.07 25.69 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.43 -39.69 70.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -173.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.28 -50.64 72.88 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -74.15 -32.13 63.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -68.14 -40.21 82.49 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -62.76 -34.05 76.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.51 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -66.49 -50.74 62.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.78 -49.32 68.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.67 -30.09 69.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.27 -38.93 71.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.68 -40.35 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 69.5 m -58.74 -47.12 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.162 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.31 -26.41 55.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.681 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 18.5 tppt? -62.45 -52.47 63.41 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -65.84 -30.57 71.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.104 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.3 tm? -66.44 -42.73 87.2 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.876 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -64.82 -35.38 80.91 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 40.8 mt-10 -64.48 -49.01 73.04 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -54.82 -43.43 72.95 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.445 1.098 . . . . 0.0 111.021 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 31.6 mt-10 . . . . . 0 C--O 1.217 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.477 0.502 0 N-CA-C 114.649 0.98 . . . . 0.0 114.649 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 66.54 -59.37 0.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.07 1.348 . . . . 0.0 113.137 -175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -50.55 -41.45 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 123.838 0.855 . . . . 0.0 112.458 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -56.77 -49.78 74.27 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.73 0.776 . . . . 0.0 111.67 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -73.57 -49.84 24.32 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.247 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.79 -53.03 62.65 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.421 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.95 85.14 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.4 t -57.21 -46.97 82.42 Favored 'General case' 0 C--O 1.273 2.29 0 CA-C-O 121.339 0.59 . . . . 0.0 110.737 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -65.28 -48.77 72.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.332 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.35 -41.24 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.005 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -52.78 -53.1 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.263 0.625 . . . . 0.0 110.593 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 85.3 m -75.79 -27.39 57.98 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.302 -0.959 . . . . 0.0 113.231 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.35 -31.07 70.19 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.713 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -96.82 -50.44 11.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.919 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.95 46.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 10.1 mm-40 -83.48 -57.03 3.41 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 59.01 92.91 0.04 OUTLIER 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.518 1.527 . . . . 0.0 112.094 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.04 152.92 8.51 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.94 -49.47 83.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-N 117.716 0.758 . . . . 0.0 111.284 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.73 -42.76 99.82 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.202 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -64.75 -44.42 90.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.756 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.35 -53.41 55.48 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -67.52 -31.21 71.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -66.74 -50.5 62.55 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.47 -43.87 88.94 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.79 -37.77 71.59 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 122.911 0.485 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.28 -43.08 99.47 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 123.612 0.57 . . . . 0.0 110.178 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.48 -43.4 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.931 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.54 -44.2 85.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.874 0.47 . . . . 0.0 110.099 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 12.7 tp10 -58.89 -48.09 82.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.491 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 34.2 ttpt -61.73 -49.78 75.07 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.035 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -55.22 -40.54 70.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.558 0.743 . . . . 0.0 111.671 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.23 -39.31 75.16 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 28.8 mmm180 -67.51 -31.71 72.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.964 0.411 . . . . 0.0 110.626 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.6 mt-10 -65.04 -35.48 81.3 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 36.8 mmt180 -68.6 -30.87 69.71 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.315 -0.926 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 177.08 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo . . . . . 0 CA--C 1.543 0.968 0 N-CA-C 115.544 1.324 . . . . 0.0 115.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.7 -34.55 64.9 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 122.104 -0.372 . . . . 0.0 111.552 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -75.96 -31.91 59.26 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.444 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.0 -46.38 81.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.68 77.04 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.803 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 13' ' ' ARG . 7.1 tp10 -74.68 -42.99 57.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 109.76 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.4 70.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.97 -34.62 73.54 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 123.49 0.716 . . . . 0.0 109.627 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 10' ' ' GLU . 76.6 mtp180 -75.59 -41.92 53.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.788 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.32 -39.39 84.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 CA-C-O 121.721 0.772 . . . . 0.0 109.704 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -56.22 -46.61 79.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.248 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.32 -26.16 65.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.51 -42.83 99.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.11 -36.55 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.61 -60.41 2.19 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.07 -48.48 70.86 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 62.61 99.18 0.03 OUTLIER 'General case' 0 C--O 1.249 1.055 0 O-C-N 124.826 1.329 . . . . 0.0 110.24 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.69 134.71 1.83 Allowed Glycine 0 N--CA 1.423 -2.173 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 41.4 t -63.77 -50.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -176.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.61 -24.29 62.72 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.001 0.429 . . . . 0.0 110.046 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.37 -35.75 63.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.12 0.486 . . . . 0.0 109.928 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -42.17 84.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 49.6 mtp180 -66.86 -32.7 74.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.439 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.12 -44.79 96.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.04 -31.96 73.15 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.841 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -59.26 -50.96 72.01 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 55.7 tt0 -57.28 -54.28 48.62 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.7 0.625 . . . . 0.0 110.558 177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.65 -52.49 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.522 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.43 -28.24 67.72 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 122.341 -0.224 . . . . 0.0 110.512 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.9 -43.41 83.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 56.1 mtpt -66.43 -43.26 86.13 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.492 178.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.934 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.35 -40.28 85.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -59.24 -42.96 92.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.815 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.71 -34.9 65.02 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.002 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.88 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.444 -0.775 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.714 178.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo . . . . . 0 N--CA 1.44 -1.62 0 N-CA-C 108.04 -1.562 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -118.64 177.75 4.72 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.81 -179.22 23.92 Favored Glycine 0 N--CA 1.423 -2.226 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.541 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.597 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 43.7 p -126.52 178.21 1.64 Allowed Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 4' ' ' SER . 92.8 Cg_endo -74.66 2.82 6.01 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.022 1.814 . . . . 0.0 113.913 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -106.52 -22.78 12.68 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.158 0.504 . . . . 0.0 111.254 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -48.36 -49.15 35.65 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.75 -41.35 97.56 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.627 0.648 . . . . 0.0 111.163 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -71.26 -51.01 26.93 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.748 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.53 -51.16 70.63 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.18 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.42 71.57 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -65.01 -45.1 86.95 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -65.6 -42.08 92.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.952 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.17 -46.35 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -54.92 -54.37 43.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.377 0.671 . . . . 0.0 109.718 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 70.8 m -73.32 -15.44 61.39 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.718 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -77.39 -38.18 50.42 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.07 -53.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.18 59.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 25' ' ' ARG . 18.7 mm-40 -93.42 -61.44 1.56 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.704 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 54.82 85.42 0.06 Allowed 'General case' 0 C--O 1.251 1.174 0 C-N-CA 123.926 0.89 . . . . 0.0 111.252 -175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.95 147.56 6.08 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.0 t -64.56 -48.45 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.16 0.48 . . . . 0.0 111.773 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.16 -43.17 99.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.568 0.699 . . . . 0.0 110.107 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 55.9 mtt-85 -70.92 -32.97 70.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.279 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.69 -42.92 90.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 65.4 mtp180 -57.97 -47.22 83.59 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.586 0.554 . . . . 0.0 109.804 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.35 -55.35 34.49 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 124.127 0.892 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.23 -44.47 96.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.793 0.683 . . . . 0.0 110.921 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.45 -48.79 79.54 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.309 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.75 -40.23 75.41 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.14 -45.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 119.469 -0.892 . . . . 0.0 111.159 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -73.03 -31.87 64.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.64 -38.89 77.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.86 -43.56 71.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -55.43 -44.98 76.8 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.28 0.363 . . . . 0.0 110.521 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.09 -56.56 17.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.714 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.71 -40.15 96.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.996 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.63 -34.52 69.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.124 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -71.2 -52.91 16.47 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 123.186 0.304 . . . . 0.0 110.271 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -66.67 -30.92 71.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.843 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -26.92 73.37 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -86.45 -5.0 59.26 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.704 0.802 . . . . 0.0 109.448 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -107.5 175.2 5.57 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.941 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.99 113.41 20.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.97 144.38 9.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.309 -1.179 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.781 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 N--CA 1.439 -1.683 0 N-CA-C 108.786 -1.275 . . . . 0.0 108.786 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -139.34 178.21 7.36 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.79 -4.56 87.21 Favored Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -55.2 114.17 6.71 Favored Pre-proline 0 N--CA 1.432 -1.337 0 C-N-CA 125.149 1.379 . . . . 0.0 111.569 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -76.26 -0.8 10.75 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 123.742 2.961 . . . . 0.0 112.359 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 15.4 ptm180 -56.51 -22.64 34.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.988 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -56.56 -44.22 80.72 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 123.295 0.638 . . . . 0.0 111.422 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.11 -39.04 92.57 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.0 0.905 . . . . 0.0 109.817 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -66.99 -46.42 74.64 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.143 -1.39 . . . . 0.0 111.21 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.6 mt-10 -70.74 -36.18 73.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.89 92.85 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 28.9 t -57.55 -41.56 81.22 Favored 'General case' 0 C--O 1.246 0.893 0 C-N-CA 123.519 0.727 . . . . 0.0 111.115 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 50.1 mtm180 -65.19 -54.18 33.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.475 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.16 -36.48 77.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -54.08 -52.66 60.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.995 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.1 m -67.35 -27.31 67.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.709 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 96.0 mt-30 -64.93 -37.95 89.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -87.94 -57.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.594 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -49.28 22.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 23.3 mm-40 -75.55 -48.27 23.16 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.12 -177.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 62.38 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.876 1.271 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.15 154.01 6.57 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.41 -54.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.378 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -30.01 70.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.774 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -57.47 -50.47 72.93 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.192 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -65.83 -44.99 83.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.434 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.516 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 16.9 mmt180 -62.37 -37.37 85.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.527 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 ttm180 -70.09 -39.75 75.38 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.665 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.36 -38.84 88.41 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 53.1 tp60 -55.29 -54.37 44.42 Favored 'General case' 0 C--O 1.196 -1.72 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 74.1 mt-30 -55.62 -50.25 70.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.702 0.626 . . . . 0.0 111.742 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 28' ' ' ARG . 48.7 t -65.28 -49.53 78.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.148 0.499 . . . . 0.0 111.209 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.38 -26.35 60.05 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.58 -40.38 66.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 39.5 ttpt -62.36 -42.25 99.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -67.28 -35.81 80.25 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.78 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.3 -40.75 98.23 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -65.35 -27.99 68.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.161 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.8 mt-10 -67.73 -42.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -66.91 -38.6 86.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.44 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 61.0 mm-40 -56.15 -47.99 77.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.843 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.39 -21.8 72.58 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.262 -0.881 . . . . 0.0 113.026 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -68.28 -27.59 66.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.234 0.517 . . . . 0.0 111.483 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 9.0 ptp85 -92.62 30.69 1.48 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.667 0.746 . . . . 0.0 109.338 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.81 138.79 47.38 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -94.02 94.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 CA-C-O 121.927 0.87 . . . . 0.0 111.184 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.293 -1.868 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.398 176.551 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.442 -1.544 0 N-CA-C 109.109 -1.15 . . . . 0.0 109.109 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -102.37 175.8 5.4 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.04 159.35 22.05 Favored Glycine 0 N--CA 1.426 -1.975 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -70.65 143.38 89.78 Favored Pre-proline 0 C--N 1.3 -1.564 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.29 -39.83 79.78 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.064 2.509 . . . . 0.0 113.904 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -67.38 -39.74 85.66 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -73.19 -29.71 63.02 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.375 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.12 -44.16 97.77 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.58 -46.27 83.43 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.853 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.43 -47.4 85.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.63 76.41 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.081 0.552 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.34 -38.8 90.89 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 55.3 mtp180 -66.84 -50.56 62.18 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.488 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.22 -38.73 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.788 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -53.18 -54.55 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.538 0.735 . . . . 0.0 109.926 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.35 -30.58 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 78.8 mt-30 -61.79 -30.5 70.85 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.067 0.46 . . . . 0.0 111.131 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.41 -55.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.48 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.18 -59.44 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 15.5 mm-40 -71.74 -50.15 32.71 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.112 0.257 . . . . 0.0 110.424 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 54.52 84.83 0.06 Allowed 'General case' 0 C--O 1.244 0.797 0 C-N-CA 124.605 1.162 . . . . 0.0 111.627 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.79 143.95 4.03 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.41 -46.65 85.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 123.925 0.89 . . . . 0.0 112.657 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.77 -55.32 35.68 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 82.7 mtt180 -70.12 -29.76 66.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.41 -176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.66 -49.24 66.83 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -61.74 -39.01 90.09 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.688 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -58.49 -59.01 6.03 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.368 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.2 m -60.24 -45.23 93.97 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.78 -47.33 74.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.568 0.347 . . . . 0.0 111.22 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -65.15 -39.62 93.24 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.461 0.475 . . . . 0.0 110.785 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.27 -47.01 82.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.355 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.51 -33.76 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.45 0.3 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.75 -43.7 83.43 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.653 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -65.22 -41.5 94.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.397 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.0 -42.39 99.09 Favored 'General case' 0 C--O 1.208 -1.121 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.492 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.64 -43.45 98.84 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.237 0.615 . . . . 0.0 110.492 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -60.34 -42.96 96.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.834 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -80.47 -26.32 38.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.63 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -57.71 -57.54 12.29 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 124.153 0.981 . . . . 0.0 108.95 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.64 -39.96 56.94 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.828 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 45' ' ' GLU . . . -59.43 -17.65 40.66 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 123.794 0.684 . . . . 0.0 114.503 -176.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.19 -31.31 72.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.325 0.583 . . . . 0.0 109.439 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -110.8 -52.16 2.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.903 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 9.1 mm-40 -80.75 104.13 11.07 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.34 100.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--N 1.301 -1.503 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.258 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo . . . . . 0 N--CA 1.433 -2.037 0 N-CA-C 110.364 -0.668 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -171.67 101.36 0.19 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.59 49.87 4.69 Favored Glycine 0 C--N 1.307 -1.05 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.543 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 10.9 m -97.19 141.63 23.33 Favored Pre-proline 0 N--CA 1.432 -1.353 0 C-N-CA 122.971 0.509 . . . . 0.0 110.033 -176.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 -37.5 78.88 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 C-N-CA 123.667 2.912 . . . . 0.0 115.086 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -91.69 -21.7 20.62 Favored 'General case' 0 CA--C 1.479 -1.775 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.685 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 4' ' ' SER . 15.9 m -67.73 -45.82 73.93 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.971 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.14 -44.33 95.03 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.422 1.106 . . . . 0.0 108.741 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD1' HD22 ' A' ' 37' ' ' LEU . 39.0 t80 -63.87 -55.29 23.86 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 113.848 -1.524 . . . . 0.0 112.186 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 13' ' ' ARG . 8.4 tp10 -67.01 -39.14 87.0 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.137 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.93 76.6 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 51.5 t -65.76 -41.01 92.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.869 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG2' ' HG2' ' A' ' 30' ' ' GLN . 51.6 mtp180 -66.63 -46.29 76.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.25 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.57 -45.05 98.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.05 -54.58 43.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 111.05 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.32 -26.03 62.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.72 -28.34 69.52 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.73 -60.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.97 -53.54 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.33 -50.2 41.52 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.431 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.1 t60 58.62 73.95 0.46 Allowed 'General case' 0 C--O 1.244 0.786 0 O-C-N 124.468 1.105 . . . . 0.0 110.514 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.59 137.52 2.38 Favored Glycine 0 N--CA 1.43 -1.751 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 61.4 t -60.32 -50.54 79.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 C-N-CA 123.224 0.61 . . . . 0.0 110.956 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 35.1 tt0 -57.6 -50.35 73.43 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.807 0.843 . . . . 0.0 110.042 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -62.63 -40.11 95.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 53.3 tt0 -67.4 -43.7 80.68 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.444 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 22.2 mtm180 -64.68 -34.38 78.17 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.179 0.299 . . . . 0.0 110.513 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 20.3 mmm180 -58.6 -47.76 83.23 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.226 175.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.3 m -60.48 -47.88 84.21 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.106 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 25.0 mt-30 -60.46 -39.89 89.23 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.159 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.16 -45.67 84.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 117.915 0.325 . . . . 0.0 111.177 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.78 -43.59 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.638 0.732 . . . . 0.0 110.142 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.7 m -75.29 -17.52 60.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.011 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 40.7 tt0 -73.03 -34.0 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.89 -49.93 68.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.82 -38.11 77.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 9' ' ' TYR . 41.4 tp -55.62 -60.12 3.88 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.336 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -67.94 -36.98 81.06 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.174 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 70.1 mt-10 -65.34 -46.99 78.04 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.342 0.401 . . . . 0.0 111.674 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.59 -40.12 88.76 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.774 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 13.0 pt-20 -73.24 -35.34 66.24 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.108 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.84 -25.43 74.92 Favored Glycine 0 C--O 1.244 0.764 0 C-N-CA 121.578 -0.344 . . . . 0.0 112.366 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' NH1' ' HB3' ' A' ' 39' ' ' GLU . 64.9 mtt85 -84.74 -32.91 23.22 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 120.693 0.282 . . . . 0.0 111.298 176.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -76.11 -40.35 53.11 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.233 0.54 . . . . 0.0 109.75 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.7 93.83 8.23 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.502 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.39 137.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.633 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.291 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.436 -1.908 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.33 -179.07 0.2 Allowed 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.667 1.187 . . . . 0.0 111.426 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.67 -44.88 0.18 Allowed Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.8 m -98.28 118.27 63.73 Favored Pre-proline 0 N--CA 1.427 -1.593 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.72 -14.36 39.84 Favored 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 123.425 2.75 . . . . 0.0 113.538 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 14.0 ptt180 -60.4 -18.42 50.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.856 0.462 . . . . 0.0 111.193 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -60.19 -29.92 69.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.749 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.01 -42.54 99.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.87 0.843 . . . . 0.0 109.264 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 37' ' ' LEU . 13.3 t80 -64.2 -46.78 82.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.824 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -64.05 -44.85 91.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.054 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.67 88.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.311 0.577 . . . . 0.0 110.548 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -67.0 -39.28 87.07 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.865 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 9' ' ' TYR . 46.0 mtp180 -63.78 -50.38 69.26 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.03 -26.84 30.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.469 0.652 . . . . 0.0 111.355 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.21 -46.44 89.72 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.06 -22.93 63.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.663 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -65.96 -41.89 90.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.85 -36.44 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.76 -56.37 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.9 mm-40 -75.28 -57.19 4.04 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 56.66 96.22 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 112.749 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.24 152.63 7.04 Favored Glycine 0 CA--C 1.494 -1.238 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.91 -55.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 117.319 0.559 . . . . 0.0 111.859 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -68.41 -22.94 64.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 35.8 mmt180 -77.24 -42.91 35.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.49 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.1 -46.79 82.66 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.053 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.58 -45.21 89.52 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 123.963 0.789 . . . . 0.0 110.354 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -57.73 -54.76 43.24 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.897 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.38 -35.46 75.76 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.164 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.23 -44.3 92.34 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 121.296 -0.162 . . . . 0.0 110.837 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -72.19 -45.09 61.78 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.079 0.466 . . . . 0.0 110.511 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.92 -43.54 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.187 0.517 . . . . 0.0 111.343 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.1 m -72.0 -20.96 61.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 122.081 -0.387 . . . . 0.0 111.005 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.31 -31.67 48.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -67.96 -38.73 83.13 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.18 -41.51 97.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.707 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' TYR . 3.4 tm? -64.72 -38.35 90.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.376 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -64.06 -28.89 70.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.986 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 26.4 mm-40 -75.67 -48.0 23.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -52.81 -49.97 64.6 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.527 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.83 -41.58 29.82 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -29.65 75.11 Favored Glycine 0 N--CA 1.463 0.451 0 O-C-N 123.451 0.469 . . . . 0.0 113.722 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -71.06 -23.63 62.17 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.422 0.629 . . . . 0.0 109.903 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.73 -62.58 1.39 Allowed 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -129.2 143.4 50.84 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.55 3.03 8.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 121.893 0.854 . . . . 0.0 109.46 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.088 179.037 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.444 -1.383 0 N-CA-C 111.226 -0.336 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -119.05 159.54 23.72 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.98 -0.45 . . . . 0.0 110.919 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -127.89 58.94 0.69 Allowed Glycine 0 C--N 1.299 -1.486 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 15.1 m -76.17 125.12 88.26 Favored Pre-proline 0 N--CA 1.435 -1.187 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.4 -51.83 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 122.151 1.901 . . . . 0.0 114.374 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.15 -35.53 80.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 4' ' ' SER . 32.7 p -68.51 -51.23 45.43 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 123.142 0.276 . . . . 0.0 111.46 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.03 -37.28 86.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 122.98 0.512 . . . . 0.0 111.405 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -65.84 -51.69 56.73 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.696 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.18 -33.38 73.28 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.505 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.96 88.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -58.4 -40.81 83.44 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -70.03 -45.72 66.56 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.85 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 18' ' ' VAL . 62.0 t -67.97 -37.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.282 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.36 -51.27 68.92 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.1 m -73.3 -25.7 60.76 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.1 -37.86 81.65 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 120.758 0.313 . . . . 0.0 110.427 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -94.25 -41.92 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.77 -46.83 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.892 -0.505 . . . . 0.0 112.169 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 7.5 mm-40 -79.62 -54.13 6.17 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 64.44 90.18 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.519 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.75 127.89 0.91 Allowed Glycine 0 N--CA 1.423 -2.226 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -52.22 -43.14 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.687 0.795 . . . . 0.0 111.494 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 11.4 pt-20 -58.01 -50.64 72.71 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.441 0.463 . . . . 0.0 111.417 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 66.8 mtt180 -74.07 -34.3 63.98 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.91 -44.67 94.16 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.46 -43.72 80.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.5 mmt180 -56.84 -47.45 80.3 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 122.558 0.343 . . . . 0.0 111.329 177.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.17 -49.31 76.31 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 123.798 0.687 . . . . 0.0 110.653 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.2 -46.45 85.79 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.531 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -52.56 -51.71 58.43 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 123.669 0.606 . . . . 0.0 110.753 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 99.5 t -71.64 -48.79 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.554 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 70.8 m -62.99 -31.52 72.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.55 -38.38 59.29 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.3 tttm -61.99 -53.23 58.47 Favored 'General case' 0 N--CA 1.423 -1.814 0 O-C-N 123.313 0.383 . . . . 0.0 110.4 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 22.0 mtm180 -59.04 -36.98 75.92 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.491 0.662 . . . . 0.0 110.336 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.8 tm? -62.35 -52.34 64.03 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -61.13 -37.71 83.8 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.494 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 70.2 mm-40 -59.78 -43.96 94.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.473 0.654 . . . . 0.0 110.462 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -72.2 -24.41 61.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.032 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 24.4 mm-40 -84.06 -44.44 14.09 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.138 0.494 . . . . 0.0 109.692 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.89 -25.77 72.02 Favored Glycine 0 C--O 1.226 -0.379 0 CA-C-N 115.516 -0.766 . . . . 0.0 113.583 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.25 -13.41 62.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.6 mtm-85 -104.18 10.84 35.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -117.94 136.84 53.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.1 t 67.38 94.86 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.29 1.036 . . . . 0.0 110.835 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 CA--C 1.487 -1.455 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.027 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.451 -0.979 0 N-CA-C 108.057 -1.555 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 66.86 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.297 0.998 . . . . 0.0 110.672 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.07 65.58 0.32 Allowed Glycine 0 N--CA 1.427 -1.935 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.633 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 24.6 m -111.13 102.14 52.08 Favored Pre-proline 0 C--N 1.297 -1.69 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 19.7 Cg_endo -57.72 -20.71 44.14 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 123.229 2.619 . . . . 0.0 112.993 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -58.72 -32.83 69.56 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.956 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -60.62 -43.99 96.83 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.498 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.73 -47.13 73.26 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.972 0.892 . . . . 0.0 109.287 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 37' ' ' LEU . 16.9 t80 -62.69 -49.17 76.18 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.277 -1.328 . . . . 0.0 112.053 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.96 -40.21 94.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.52 72.78 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.984 0.421 . . . . 0.0 110.291 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.48 -45.91 78.09 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -66.03 -47.53 74.12 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.684 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.94 -37.82 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.225 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -57.04 -48.9 77.41 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 84.7 m -71.1 -29.0 64.72 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.234 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.69 -40.48 95.45 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.055 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.73 -44.63 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.72 -42.74 17.67 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 17.1 mm-40 -77.43 -56.81 4.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 t60 71.1 -43.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.02 1.328 . . . . 0.0 112.952 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.27 141.4 45.8 Favored Glycine 0 N--CA 1.448 -0.524 0 O-C-N 123.048 0.218 . . . . 0.0 112.703 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.23 -32.98 55.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 123.008 0.523 . . . . 0.0 111.251 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.64 -41.61 65.29 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -63.23 -44.85 94.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.025 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.95 -32.44 73.69 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -64.43 -37.06 86.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.14 -48.25 68.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.9 m -59.71 -44.6 93.63 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 25.3 tt0 -54.47 -47.07 73.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -62.23 -53.39 55.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.716 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.95 -44.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.38 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.57 -31.94 71.5 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.337 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.9 tp10 -68.6 -41.68 79.24 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -59.9 -47.38 86.01 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.825 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.38 -44.22 84.29 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.647 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 67.7 tp -62.88 -49.65 74.0 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 123.611 0.569 . . . . 0.0 110.593 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.78 -30.89 71.6 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' ARG . 39.0 mm-40 -81.85 -29.76 32.37 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.963 -0.46 . . . . 0.0 110.74 173.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -65.01 -43.52 92.23 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.26 -58.98 2.96 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 46' ' ' VAL . . . -82.31 -22.31 59.03 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 115.989 1.156 . . . . 0.0 115.989 -168.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 18.8 tpp180 -88.97 -23.96 22.52 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.06 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -95.03 -44.98 7.43 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.53 89.67 2.44 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-O 122.196 0.998 . . . . 0.0 111.343 170.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 12.5 p -71.16 139.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.732 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 CA--C 1.487 -1.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 174.07 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.443 -1.456 0 N-CA-C 109.916 -0.84 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.44 144.84 31.12 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.857 0.361 . . . . 0.0 111.527 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.05 59.82 4.47 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -149.4 141.36 14.97 Favored Pre-proline 0 N--CA 1.428 -1.541 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.57 -10.8 27.33 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.268 1.979 . . . . 0.0 112.57 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -54.96 -41.16 70.8 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.106 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -67.84 -30.88 70.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 22.5 mm-40 -66.85 -44.75 80.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.36 -42.55 79.03 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.484 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.1 -49.75 68.79 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.693 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.62 74.4 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.738 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -56.8 -44.12 81.61 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.55 0.691 . . . . 0.0 109.71 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -70.33 -46.3 64.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.22 -42.37 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.259 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -55.29 -43.87 75.17 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.881 0.472 . . . . 0.0 110.893 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 58.4 m -70.03 -32.06 70.02 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -68.2 -42.59 79.66 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.359 0.599 . . . . 0.0 109.768 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.64 -54.75 14.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.025 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.85 -49.41 8.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 16' ' ' CYS . 58.1 mm-40 -75.54 -52.05 11.53 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.225 -174.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.5 t60 59.2 103.45 0.02 OUTLIER 'General case' 0 C--O 1.248 1.005 0 C-N-CA 125.326 1.45 . . . . 0.0 112.299 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.6 4.01 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.34 -52.53 54.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -60.04 -42.3 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.447 0.641 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.03 -42.31 89.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.406 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -69.97 -39.73 75.81 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 123.077 0.551 . . . . 0.0 110.254 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.72 -38.77 91.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.175 0.59 . . . . 0.0 109.846 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 32.3 tpt180 -65.8 -51.97 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.606 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.45 -44.69 84.95 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.23 -31.8 71.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.153 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -71.13 -39.94 71.71 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ARG . 58.9 t -67.12 -48.16 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.107 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.33 -39.43 87.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.54 -40.99 89.37 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.556 0.694 . . . . 0.0 109.586 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -65.36 -49.66 68.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.49 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -65.71 -33.54 76.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.4 tm? -64.61 -43.51 93.51 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.39 -39.84 81.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -38.95 85.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 8' ' ' GLU . 34.2 ttt180 -65.1 -33.5 76.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.22 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 44.2 mt-10 -69.88 -24.75 63.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.402 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.12 -23.68 54.31 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -78.36 -46.47 19.91 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 122.659 0.384 . . . . 0.0 110.624 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -90.65 136.31 33.15 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.058 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -84.15 170.4 13.84 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.155 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.12 149.47 6.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.937 0.399 . . . . 0.0 110.867 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.472 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 N--CA 1.445 -1.352 0 N-CA-C 107.858 -1.632 . . . . 0.0 107.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 68.65 -179.93 0.23 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.174 1.389 . . . . 0.0 110.758 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.577 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . -117.89 77.63 0.29 Allowed Glycine 0 N--CA 1.425 -2.035 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 172.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -94.33 105.09 15.97 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.577 ' HD3' ' O ' ' A' ' 3' ' ' GLY . 57.9 Cg_endo -96.05 -18.02 0.31 Allowed 'Trans proline' 0 N--CA 1.445 -1.362 0 C-N-CA 122.299 1.999 . . . . 0.0 112.554 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.75 -29.0 64.03 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.151 0.501 . . . . 0.0 110.331 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -72.94 -34.89 66.83 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.396 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.63 -47.13 79.68 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.562 0.696 . . . . 0.0 109.143 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -62.9 -41.86 99.58 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.696 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.0 tt0 -65.93 -42.57 89.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.357 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.78 80.96 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.097 0.559 . . . . 0.0 110.621 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 40.6 t -56.58 -41.38 76.86 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.244 0.545 . . . . 0.0 110.939 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.41 -48.49 67.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.271 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.7 t -66.37 -39.82 85.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.948 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 95.1 m -74.34 -21.5 59.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.25 -43.51 98.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.37 -41.44 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.602 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.73 39.07 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 28.5 mm-40 -81.16 -47.56 13.29 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 60.82 81.05 0.2 Allowed 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.67 143.8 3.92 Favored Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.029 -1.629 . . . . 0.0 109.029 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.49 -49.34 81.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 117.132 0.466 . . . . 0.0 111.765 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.51 -41.36 76.15 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.812 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -65.0 -36.64 85.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.114 0.483 . . . . 0.0 111.282 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.35 -44.23 68.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.8 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -71.44 -26.81 62.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.908 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 32' ' ' VAL . 27.5 tpt180 -59.8 -51.65 68.81 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 72.8 m -60.12 -46.21 90.4 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.314 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -51.36 -49.11 62.1 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.677 0.611 . . . . 0.0 110.622 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -71.0 -44.66 65.45 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.894 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 28' ' ' ARG . 96.9 t -62.46 -47.2 94.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.187 0.518 . . . . 0.0 110.282 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -69.06 -28.53 66.62 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.347 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.66 -42.07 82.77 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 40.2 ttmt -59.67 -54.68 43.59 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.444 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.28 -35.99 72.61 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.171 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.21 -45.71 90.41 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -71.18 -35.94 71.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.958 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 17.5 mm-40 -62.52 -38.0 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 31.5 ttm180 -64.82 -37.98 89.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.608 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -80.96 -36.17 31.22 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.754 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.22 -43.21 13.68 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.007 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -89.76 -3.32 58.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.409 0.605 . . . . 0.0 112.566 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 97.6 mtt180 -121.96 178.7 4.78 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -75.95 159.39 30.93 Favored 'General case' 0 C--O 1.251 1.178 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.45 108.68 5.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.115 0.966 . . . . 0.0 109.023 -178.818 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.444 -1.405 0 N-CA-C 109.485 -1.006 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -95.95 -177.62 4.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.35 110.56 2.26 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.515 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 42.6 t -81.76 127.28 73.14 Favored Pre-proline 0 C--N 1.302 -1.463 0 CA-C-O 121.008 0.433 . . . . 0.0 111.002 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.28 -18.28 23.51 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.36 2.04 . . . . 0.0 110.876 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -81.44 -44.68 17.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.538 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.515 ' OG1' ' HB3' ' A' ' 4' ' ' SER . 32.3 p -69.77 -32.66 71.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.219 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -56.56 -48.89 76.35 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.306 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.599 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.2 t80 -67.93 -49.6 60.89 Favored 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.718 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.72 -50.8 69.36 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.785 0.678 . . . . 0.0 111.095 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.48 90.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.596 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.34 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.5 -48.58 39.45 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.951 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.2 t -60.9 -44.91 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 122.33 0.252 . . . . 0.0 111.162 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.312 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 m -67.3 -36.27 81.15 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.508 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.82 -27.66 66.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.401 0.619 . . . . 0.0 110.107 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 14' ' ' VAL . 62.9 t -80.77 -48.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.994 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.41 -43.91 14.22 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.11 -55.54 4.69 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 62.25 94.2 0.05 OUTLIER 'General case' 0 C--O 1.249 1.026 0 C-N-CA 124.816 1.246 . . . . 0.0 111.297 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.98 5.84 Favored Glycine 0 C--N 1.298 -1.528 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.3 t -72.1 -40.72 67.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 117.337 0.568 . . . . 0.0 110.618 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.87 -38.62 83.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -72.22 -32.91 67.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.403 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.62 -45.49 92.61 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 91.4 mtt180 -54.23 -36.01 63.06 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.682 0.793 . . . . 0.0 111.545 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 95.8 mtt180 -65.95 -60.03 3.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.77 -42.49 97.6 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.0 -40.52 73.49 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.417 0.687 . . . . 0.0 111.073 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -74.02 -36.43 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 111.135 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' ARG . 57.7 t -67.21 -46.2 84.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.7 m -63.28 -42.04 99.06 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.47 -40.68 97.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.21 0.604 . . . . 0.0 110.127 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 4.9 ttmp? -64.41 -44.58 90.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.138 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -73.51 -27.91 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.69 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' CD2' ' A' ' 9' ' ' TYR . 1.7 tt -59.29 -50.64 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -62.15 -36.68 82.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.29 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.2 mt-10 -68.25 -47.11 68.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.371 0.605 . . . . 0.0 110.475 176.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.192 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -81.24 -18.27 46.63 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.752 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.0 56.97 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -86.52 -2.23 58.29 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.618 0.767 . . . . 0.0 113.049 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -120.21 151.71 38.75 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -83.25 101.48 11.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.47 -39.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 CA--C 1.497 -1.091 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 0 N--CA 1.447 -1.233 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -98.43 118.21 34.6 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.722 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.35 65.83 1.53 Allowed Glycine 0 N--CA 1.435 -1.425 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 p -90.41 113.08 56.28 Favored Pre-proline 0 C--N 1.299 -1.596 0 C-N-CA 122.81 0.444 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.81 -24.45 21.31 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.551 1.5 . . . . 0.0 112.07 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.71 -43.41 89.2 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.486 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -66.06 -34.78 78.85 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.861 0.839 . . . . 0.0 109.597 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.45 -39.21 85.37 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.937 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.44 -45.0 96.14 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.64 91.52 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.888 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 44.2 t -57.29 -39.19 75.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.133 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 47.8 mtm180 -68.41 -54.83 14.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.414 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.28 -38.67 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 111.327 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -61.63 -43.86 98.07 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.5 m -75.43 -17.62 60.12 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -70.0 -35.59 74.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.609 0.719 . . . . 0.0 109.124 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.03 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.552 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.31 67.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 24.8 mm-40 -91.13 -54.02 4.12 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.4 t60 72.49 -47.37 0.67 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.548 1.539 . . . . 0.0 112.009 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.81 135.9 51.31 Favored Glycine 0 N--CA 1.44 -1.081 0 O-C-N 123.602 0.564 . . . . 0.0 112.224 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.07 -46.7 80.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 123.634 0.773 . . . . 0.0 111.635 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.4 -42.05 88.43 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.015 0.436 . . . . 0.0 110.716 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 28' ' ' ARG . 37.3 mmt180 -69.2 -38.21 78.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.974 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.49 -40.77 85.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -58.16 -37.97 75.74 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.726 0.81 . . . . 0.0 110.304 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 30.4 tpt180 -58.62 -48.68 80.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.674 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 79.0 m -63.89 -47.39 80.82 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.251 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.07 -25.66 67.82 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.429 0.692 . . . . 0.0 112.203 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.36 -55.7 4.17 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -41.89 83.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.2 m -70.96 -28.95 64.84 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 122.102 -0.374 . . . . 0.0 111.211 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.27 -27.28 35.2 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.045 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -62.4 -43.66 98.3 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 47.5 mtm180 -70.28 -33.25 71.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.566 177.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 9' ' ' TYR . 31.2 tp -60.16 -53.23 60.25 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.506 ' HD3' ' OE2' ' A' ' 41' ' ' GLU . 12.5 tpp180 -56.13 -44.1 78.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.196 1.398 . . . . 0.0 111.377 -176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 9.3 pt-20 -75.34 -27.75 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.09 -41.27 50.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.462 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' OE2' ' HD3' ' A' ' 38' ' ' ARG . 23.2 pt-20 -71.18 -24.56 62.26 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.079 0.466 . . . . 0.0 110.403 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.19 -36.02 32.42 Favored Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.472 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -79.22 -46.38 17.98 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.069 0.461 . . . . 0.0 109.843 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -116.38 114.37 24.19 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.86 79.49 9.22 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.8 t 61.37 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.77 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.316 178.312 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 N--CA 1.445 -1.355 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -113.62 154.19 27.61 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.31 144.88 5.55 Favored Glycine 0 C--N 1.301 -1.411 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.2 m 65.62 101.7 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.739 1.216 . . . . 0.0 110.864 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -49.86 -34.93 38.34 Favored 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 123.766 2.978 . . . . 0.0 114.144 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -54.27 -28.66 43.23 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.9 p -66.08 -45.12 82.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.986 0.422 . . . . 0.0 111.337 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.19 -39.45 82.47 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.457 0.646 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -63.26 -45.02 93.47 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.661 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.4 tt0 -63.98 -44.87 91.39 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.169 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.65 87.06 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.174 0.59 . . . . 0.0 110.753 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.09 -42.72 86.25 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.989 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 27.8 mmm180 -68.56 -42.17 78.72 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.244 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLU . 74.0 t -58.82 -42.56 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.198 0.599 . . . . 0.0 111.007 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -60.52 -40.83 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 110.377 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -72.01 -28.89 63.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 77.3 mt-30 -67.32 -38.43 84.9 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.48 0.181 . . . . 0.0 110.714 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.45 -44.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.86 -54.95 4.34 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.18 -60.29 2.42 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 t60 69.82 -55.47 0.59 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.72 1.208 . . . . 0.0 113.282 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.99 148.1 40.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.51 -46.79 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.901 1.281 . . . . 0.0 112.515 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.49 -45.66 93.31 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.74 -39.8 80.16 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.304 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -50.39 68.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.086 0.954 . . . . 0.0 108.778 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -57.15 -36.56 70.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.897 0.879 . . . . 0.0 111.53 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -66.83 -50.79 61.46 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.35 -33.84 74.3 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.075 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -59.46 -39.26 83.05 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.65 0.78 . . . . 0.0 109.512 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -80.13 -52.88 7.24 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.345 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.29 -50.84 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 123.166 0.586 . . . . 0.0 112.058 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.7 -32.21 73.63 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.996 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.42 -46.64 38.78 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.37 -46.08 90.27 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.969 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -64.2 -35.68 81.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.605 0.241 . . . . 0.0 111.164 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.54 -43.61 76.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -65.86 -30.47 71.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.128 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.13 -36.15 66.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.022 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -62.27 -49.18 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.203 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.31 -13.41 76.69 Favored Glycine 0 C--N 1.309 -0.964 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.805 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 2.6 tpm_? -82.72 -7.93 59.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.401 0.619 . . . . 0.0 110.066 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -136.15 176.08 9.02 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -97.4 107.75 20.32 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -95.72 84.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 CA-C-O 122.186 0.993 . . . . 0.0 112.713 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo . . . . . 0 N--CA 1.444 -1.422 0 N-CA-C 108.311 -1.457 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -131.14 142.73 50.27 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.69 -30.79 47.1 Favored Glycine 0 N--CA 1.431 -1.645 0 O-C-N 123.925 0.765 . . . . 0.0 111.872 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.8 t -105.51 104.91 50.47 Favored Pre-proline 0 N--CA 1.428 -1.545 0 CA-C-O 121.111 0.482 . . . . 0.0 110.147 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.83 2.25 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 122.575 2.184 . . . . 0.0 110.547 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.11 -33.3 62.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.945 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -62.59 -42.7 99.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.314 0.578 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.86 -38.71 79.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.83 -46.04 86.88 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.454 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.8 mt-10 -73.42 -26.26 60.88 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.282 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.34 90.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -60.36 -43.44 96.54 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.212 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.63 -40.47 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 10' ' ' GLU . 79.2 t -63.4 -38.09 81.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -59.14 -44.0 92.04 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.289 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 86.4 m -65.54 -33.8 76.76 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -67.27 -34.98 78.56 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.778 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.47 -42.4 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.47 6.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -71.86 -55.93 6.66 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 55.88 85.58 0.07 Allowed 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.741 1.217 . . . . 0.0 112.323 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . 175.73 143.38 4.59 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.69 -46.82 83.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 C-N-CA 123.288 0.635 . . . . 0.0 111.902 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.92 -45.84 87.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.217 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 50.6 mtt180 -70.82 -20.83 62.52 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 99.2 mt-30 -67.02 -43.98 81.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 61.2 ttp180 -69.04 -37.41 78.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.503 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.3 mmm180 -53.61 -60.21 3.61 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.129 174.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.77 -22.98 65.17 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 24.1 tt0 -61.42 -41.29 96.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 10.5 mm100 -86.9 -52.42 5.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.291 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 93.3 t -59.74 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 123.381 0.672 . . . . 0.0 112.645 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -67.9 -23.79 65.14 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.745 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.86 -44.77 65.69 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 92.6 mttt -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.77 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.585 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 79.0 mtp180 -60.41 -41.64 94.33 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.931 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 3.4 tm? -62.06 -45.48 93.35 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.252 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.8 -22.53 59.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.288 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' A' ' 36' ' ' ARG . 46.9 mt-10 -60.87 -46.7 89.57 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 174.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 23.1 mtp-105 -57.3 -50.62 72.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.933 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -58.07 -43.0 86.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.018 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -13.54 82.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.952 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -94.58 -20.62 19.45 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 51.8 mtm180 -95.09 118.72 32.37 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.484 -177.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -96.48 25.89 4.76 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.994 0.902 . . . . 0.0 108.671 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -146.98 151.52 13.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.316 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.435 -1.947 0 N-CA-C 109.218 -1.108 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -101.6 176.38 5.25 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.76 -68.18 3.1 Favored Glycine 0 C--N 1.304 -1.198 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m -118.99 97.14 50.66 Favored Pre-proline 0 N--CA 1.429 -1.522 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HG3' HH22 ' A' ' 44' ' ' ARG . 79.5 Cg_endo -83.55 -22.3 3.87 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 121.931 1.754 . . . . 0.0 112.216 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 37' ' ' LEU . 35.3 mmt180 -68.69 -33.61 74.24 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -73.02 -28.31 62.28 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.74 -45.08 68.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -39.23 91.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.535 176.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 33.9 tt0 -65.05 -42.77 93.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.13 75.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -63.78 -39.45 94.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' ' HA ' ' A' ' 30' ' ' GLN . 39.8 mtp180 -65.41 -51.42 60.44 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.079 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.61 -33.52 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -59.18 -48.45 81.57 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.996 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.08 -30.26 70.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -62.56 -31.61 72.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.8 -58.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.95 87.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -85.37 -37.89 19.36 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 62.64 99.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.02 1.328 . . . . 0.0 111.912 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.68 145.84 4.21 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.66 -43.51 90.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 122.637 0.375 . . . . 0.0 110.981 -177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.62 -45.77 81.82 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.391 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.98 -45.26 93.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.445 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -61.71 -40.38 94.83 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.276 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -61.89 -47.44 84.98 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.686 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 47.1 tt0 -57.98 -43.49 86.56 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -69.8 -52.15 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 123.482 0.489 . . . . 0.0 109.725 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -58.81 -49.52 82.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.741 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.65 -27.17 64.82 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 122.285 -0.259 . . . . 0.0 111.103 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 30.6 tt0 -74.04 -38.98 63.85 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -63.06 -45.87 90.16 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.867 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -53.18 -48.42 68.06 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.893 0.477 . . . . 0.0 110.909 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' NH1' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -68.45 -40.54 81.07 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.753 -177.133 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.49 -36.78 76.83 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 46.1 mt-10 -69.36 -29.13 66.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 73.2 ttt180 -66.97 -38.59 86.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 43.8 mt-10 -67.63 -32.13 72.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.405 174.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.45 -24.14 76.77 Favored Glycine 0 C--O 1.222 -0.651 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.758 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 30.4 mmm180 -79.21 -26.66 42.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.451 HH22 ' HG3' ' A' ' 5' ' ' PRO . 99.9 mtt180 -66.17 149.48 50.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.585 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.86 101.02 11.04 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -73.66 130.09 36.0 Favored 'Isoleucine or valine' 0 C--O 1.249 1.056 0 CA-C-O 121.212 0.529 . . . . 0.0 111.03 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--N 1.296 -1.722 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.805 -176.844 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 N--CA 1.45 -1.036 0 N-CA-C 108.331 -1.45 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -130.95 168.01 18.06 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.41 -148.96 9.07 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -58.47 110.06 2.31 Favored Pre-proline 0 N--CA 1.444 -0.737 0 O-C-N 124.441 0.73 . . . . 0.0 110.279 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.56 -4.72 13.08 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.146 2.564 . . . . 0.0 112.534 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.45 -19.91 63.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.611 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -60.39 -32.38 71.26 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -71.75 -46.14 59.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.952 0.882 . . . . 0.0 108.868 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.45 -49.66 75.91 Favored 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 125.836 1.654 . . . . 0.0 111.896 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.15 -42.3 80.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.06 79.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.3 -39.65 87.71 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.896 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.92 -38.71 69.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.81 -45.6 80.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -52.22 -54.62 28.74 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.191 0.997 . . . . 0.0 110.777 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 94.8 m -70.35 -25.36 63.24 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.95 -38.22 72.84 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.395 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.63 -48.66 20.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.725 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.04 4.72 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 12.0 mm-40 -72.62 -39.16 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 t60 70.18 103.1 0.06 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.884 1.274 . . . . 0.0 110.959 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.1 149.91 5.4 Favored Glycine 0 N--CA 1.423 -2.208 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.119 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 49.7 t -70.27 -42.33 78.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.911 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.64 -32.75 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -68.05 -39.41 83.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -63.99 -44.54 92.36 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.79 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 79.5 mtp180 -62.22 -34.95 77.45 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.809 0.444 . . . . 0.0 111.507 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 28' ' ' ARG . 24.1 ttt180 -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.595 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.47 -34.36 74.25 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.972 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -58.18 -49.49 76.86 Favored 'General case' 0 C--O 1.204 -1.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.111 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -56.05 -49.0 74.96 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.807 0.692 . . . . 0.0 110.985 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.15 -45.58 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.277 0.561 . . . . 0.0 111.173 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.7 m -77.53 -17.54 57.84 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.37 -32.66 60.91 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.48 -41.49 88.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -63.21 -44.25 95.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.223 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -42.93 98.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.476 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -61.85 -37.22 83.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.934 0.494 . . . . 0.0 110.112 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 14.2 mm-40 -71.33 -48.6 49.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.591 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -59.56 -56.2 24.91 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.2 -19.9 63.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.688 0.395 . . . . 0.0 111.329 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.23 -34.31 51.7 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 20.1 mmt180 -95.19 -25.76 16.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.377 0.608 . . . . 0.0 109.438 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HG2' ' HG2' ' A' ' 45' ' ' GLU . 36.4 ttt180 -81.92 126.09 31.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.417 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 44' ' ' ARG . 23.7 mm-40 56.33 44.15 25.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.935 0.894 . . . . 0.0 110.933 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.7 p -88.67 138.56 18.94 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--N 1.302 -1.469 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.299 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.434 -1.978 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -111.78 171.36 7.54 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.22 -176.02 44.94 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 175.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.568 ' O ' HG22 ' A' ' 7' ' ' THR . 13.6 m -78.09 159.74 75.03 Favored Pre-proline 0 C--N 1.297 -1.69 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.27 -23.6 18.57 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 123.037 2.491 . . . . 0.0 112.765 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -55.53 -41.26 72.94 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.533 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 4' ' ' SER . 5.9 t -64.51 -26.64 68.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.83 -54.24 14.46 Favored 'General case' 0 C--O 1.243 0.72 0 O-C-N 123.12 0.263 . . . . 0.0 110.931 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.571 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -74.01 -29.24 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.681 -176.029 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.88 -36.53 80.4 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.98 70.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.209 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.6 t -62.0 -43.52 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.09 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.92 -47.41 85.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.97 -42.67 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.862 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -59.74 -50.24 74.62 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.653 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.0 m -65.24 -35.86 82.34 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.18 -20.45 59.31 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.399 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.96 -57.67 4.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.976 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.44 48.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -80.64 -52.06 8.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.97 92.34 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.62 1.568 . . . . 0.0 111.434 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.55 149.88 6.14 Favored Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.07 -51.13 57.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.049 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 1.3 mp0 -55.91 -40.32 72.89 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.008 0.923 . . . . 0.0 109.351 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 98.6 mtt180 -70.66 -35.12 72.69 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.071 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.93 -32.42 63.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.04 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -61.97 -41.49 98.06 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.68 -51.74 68.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.946 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.24 -30.44 71.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG3' ' OE1' ' A' ' 34' ' ' GLU . 33.7 tt0 -63.2 -42.63 99.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.282 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.44 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 49.0 tt0 -63.99 -33.92 76.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.04 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 55.8 t -81.54 -62.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.149 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . 0.27 88.4 m -74.02 -41.39 61.91 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -170.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE1' ' HG3' ' A' ' 30' ' ' GLN . 1.5 mp0 -63.58 -36.27 83.23 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.969 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 28.5 ttpp -71.27 -37.23 71.9 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.915 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 78.0 mtp180 -59.24 -46.68 87.84 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' A' ' 9' ' ' TYR . 3.1 tm? -64.43 -36.35 83.87 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.16 0.505 . . . . 0.0 109.817 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.93 -40.84 96.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.973 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 15.7 mm-40 -79.84 -32.91 40.56 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HG3' HG12 ' A' ' 46' ' ' VAL . 24.7 tpt180 -50.4 -52.87 33.69 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 125.506 1.522 . . . . 0.0 109.698 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.41 -32.15 22.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.64 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.84 -35.72 91.23 Favored Glycine 0 N--CA 1.461 0.339 0 CA-C-N 116.615 -0.266 . . . . 0.0 113.51 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 -92.93 -15.78 25.91 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 59.16 80.39 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.914 1.286 . . . . 0.0 111.455 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -132.0 29.14 4.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 40' ' ' ARG . 30.4 m -93.42 151.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.25 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--N 1.3 -1.586 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 176.563 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.446 -1.305 0 N-CA-C 108.284 -1.468 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.34 171.36 14.39 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.34 169.87 27.41 Favored Glycine 0 N--CA 1.434 -1.461 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 p -84.66 117.14 68.06 Favored Pre-proline 0 C--N 1.3 -1.568 0 CA-C-N 118.31 1.055 . . . . 0.0 111.138 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.09 -43.32 54.65 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.687 2.258 . . . . 0.0 111.455 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 6.7 ptp180 -53.87 -40.69 66.77 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.139 -0.937 . . . . 0.0 113.164 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -75.59 -35.81 60.48 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.449 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -65.67 -45.26 83.57 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -62.4 -46.99 86.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.307 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.7 tt0 -57.5 -46.19 84.05 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.136 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.1 78.01 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.843 0.457 . . . . 0.0 111.49 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.87 -38.53 86.5 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 43.8 mtp180 -68.68 -46.35 69.29 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.037 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 10' ' ' GLU . 91.2 t -57.75 -37.49 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.121 0.568 . . . . 0.0 110.569 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -54.4 -52.94 60.14 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -67.96 -28.64 67.63 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.578 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.5 mt-30 -67.29 -25.82 66.23 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.727 0.299 . . . . 0.0 111.509 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.51 -48.64 11.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.884 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -55.23 11.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.764 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' OE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 mm-40 -79.08 -52.01 8.78 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 71.42 -41.76 0.51 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.485 1.914 . . . . 0.0 113.203 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 134.29 52.45 Favored Glycine 0 N--CA 1.444 -0.824 0 O-C-N 123.211 0.319 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.22 -42.02 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 124.222 1.009 . . . . 0.0 112.415 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.71 -50.23 73.9 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.057 0.456 . . . . 0.0 111.101 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 80.8 mtm180 -73.18 -27.25 61.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.842 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.49 -50.02 71.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.85 -34.62 78.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.945 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.07 -51.04 70.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.98 -26.08 68.67 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.864 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -56.39 -47.88 78.05 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.83 -38.22 38.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.87 -49.69 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.136 0.493 . . . . 0.0 109.961 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.8 m -69.98 -29.31 66.38 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.0 tt0 -68.42 -45.19 73.28 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 24.5 ttmm -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.188 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.36 -37.18 79.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.006 0.432 . . . . 0.0 110.143 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.32 -42.31 72.13 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 33.4 mmt180 -61.52 -36.82 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 111.306 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 10.5 mm-40 -71.41 -36.2 71.26 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.116 0.484 . . . . 0.0 110.192 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -68.68 -47.88 65.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.9 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 8.3 pt-20 -67.52 -37.07 82.22 Favored 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.464 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.64 73.86 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -71.07 -29.17 64.98 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 122.847 0.459 . . . . 0.0 110.274 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -92.71 -57.24 2.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.13 0.49 . . . . 0.0 109.947 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -96.81 102.44 14.22 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.26 153.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.904 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.304 -1.378 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -178.316 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.442 -1.535 0 N-CA-C 107.946 -1.598 . . . . 0.0 107.946 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -71.24 119.51 15.48 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 123.681 0.613 . . . . 0.0 109.629 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.52 -76.07 2.28 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 7' ' ' THR . 62.7 p -176.88 164.92 1.52 Allowed Pre-proline 0 C--N 1.309 -1.175 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.39 -34.38 44.03 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.495 1.463 . . . . 0.0 109.872 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.2 -42.23 76.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.314 . . . . 0.0 112.874 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 4' ' ' SER . 12.3 t -56.69 -36.42 69.6 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.58 -54.12 15.59 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.284 0.564 . . . . 0.0 109.724 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -62.34 -48.92 77.68 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.539 -175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.16 -47.72 84.88 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.26 90.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.524 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.76 -40.68 80.3 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.363 0.665 . . . . 0.0 110.965 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -39.35 83.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.04 -55.27 32.86 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.166 0.586 . . . . 0.0 110.701 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.9 m -72.35 -21.85 61.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.2 -39.19 89.49 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.16 -37.16 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.612 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -56.69 4.47 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -74.92 -47.27 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.732 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.7 t60 71.96 -50.16 0.69 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.778 1.231 . . . . 0.0 112.302 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.37 133.07 25.69 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.43 -39.69 70.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -173.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.28 -50.64 72.88 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -74.15 -32.13 63.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -68.14 -40.21 82.49 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -62.76 -34.05 76.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.51 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -66.49 -50.74 62.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.78 -49.32 68.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.67 -30.09 69.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.27 -38.93 71.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.68 -40.35 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 69.5 m -58.74 -47.12 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.162 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.31 -26.41 55.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.681 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 18.5 tppt? -62.45 -52.47 63.41 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -65.84 -30.57 71.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.104 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.3 tm? -66.44 -42.73 87.2 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.876 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -64.82 -35.38 80.91 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 40.8 mt-10 -64.48 -49.01 73.04 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -54.82 -43.43 72.95 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.445 1.098 . . . . 0.0 111.021 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 31.6 mt-10 -63.67 -39.39 94.21 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.21 -16.26 76.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.057 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 96.5 mtt180 -85.25 -29.09 24.91 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -78.76 -48.84 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -108.35 93.38 4.49 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.83 -31.43 4.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.837 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.31 -1.116 0 O-C-N 122.174 -0.329 . . . . 0.0 110.442 -178.128 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.447 -1.255 0 N-CA-C 108.82 -1.261 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -96.97 175.26 6.4 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.02 -19.11 79.8 Favored Glycine 0 C--O 1.243 0.695 0 CA-C-O 119.803 -0.443 . . . . 0.0 113.633 -176.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.0 m -52.88 120.51 19.39 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.91 -24.0 46.65 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.673 2.915 . . . . 0.0 114.649 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 66.54 -59.37 0.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.07 1.348 . . . . 0.0 113.137 -175.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -50.55 -41.45 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 123.838 0.855 . . . . 0.0 112.458 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -56.77 -49.78 74.27 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.73 0.776 . . . . 0.0 111.67 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -73.57 -49.84 24.32 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.247 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.79 -53.03 62.65 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.421 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.95 85.14 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.4 t -57.21 -46.97 82.42 Favored 'General case' 0 C--O 1.273 2.29 0 CA-C-O 121.339 0.59 . . . . 0.0 110.737 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -65.28 -48.77 72.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.332 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.35 -41.24 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.005 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -52.78 -53.1 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.263 0.625 . . . . 0.0 110.593 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 85.3 m -75.79 -27.39 57.98 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.302 -0.959 . . . . 0.0 113.231 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.35 -31.07 70.19 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.713 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -96.82 -50.44 11.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.919 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.95 46.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 10.1 mm-40 -83.48 -57.03 3.41 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 59.01 92.91 0.04 OUTLIER 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.518 1.527 . . . . 0.0 112.094 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.04 152.92 8.51 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.94 -49.47 83.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-N 117.716 0.758 . . . . 0.0 111.284 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.73 -42.76 99.82 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.202 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -64.75 -44.42 90.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.756 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -62.35 -53.41 55.48 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -67.52 -31.21 71.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -66.74 -50.5 62.55 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.47 -43.87 88.94 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.79 -37.77 71.59 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 122.911 0.485 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.28 -43.08 99.47 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 123.612 0.57 . . . . 0.0 110.178 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.48 -43.4 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.931 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.54 -44.2 85.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.874 0.47 . . . . 0.0 110.099 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 12.7 tp10 -58.89 -48.09 82.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.491 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 34.2 ttpt -61.73 -49.78 75.07 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.035 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -55.22 -40.54 70.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.558 0.743 . . . . 0.0 111.671 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.23 -39.31 75.16 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 28.8 mmm180 -67.51 -31.71 72.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.964 0.411 . . . . 0.0 110.626 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.6 mt-10 -65.04 -35.48 81.3 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 36.8 mmt180 -68.6 -30.87 69.71 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -69.41 -41.08 76.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.77 -53.35 4.63 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.378 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -66.82 -37.76 85.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.934 0.397 . . . . 0.0 111.115 -176.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 99.2 mtt180 -99.86 108.99 21.39 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.77 100.6 12.14 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.68 70.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-O 121.812 0.815 . . . . 0.0 110.37 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.297 -1.682 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.598 176.521 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo . . . . . 0 N--CA 1.44 -1.666 0 N-CA-C 108.498 -1.385 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.91 95.82 10.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.77 12.12 1.48 Allowed Glycine 0 C--N 1.295 -1.741 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.2 m -85.75 148.22 48.12 Favored Pre-proline 0 N--CA 1.419 -2.018 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.997 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.12 -51.29 10.27 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.941 3.094 . . . . 0.0 115.544 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.7 -34.55 64.9 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 122.104 -0.372 . . . . 0.0 111.552 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -75.96 -31.91 59.26 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.444 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.0 -46.38 81.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.68 77.04 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.803 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 13' ' ' ARG . 7.1 tp10 -74.68 -42.99 57.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 109.76 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.4 70.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.97 -34.62 73.54 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 123.49 0.716 . . . . 0.0 109.627 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 10' ' ' GLU . 76.6 mtp180 -75.59 -41.92 53.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.788 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.32 -39.39 84.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 CA-C-O 121.721 0.772 . . . . 0.0 109.704 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -56.22 -46.61 79.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.248 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.32 -26.16 65.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.51 -42.83 99.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.11 -36.55 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.61 -60.41 2.19 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.07 -48.48 70.86 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 62.61 99.18 0.03 OUTLIER 'General case' 0 C--O 1.249 1.055 0 O-C-N 124.826 1.329 . . . . 0.0 110.24 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.69 134.71 1.83 Allowed Glycine 0 N--CA 1.423 -2.173 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 41.4 t -63.77 -50.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -176.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.61 -24.29 62.72 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.001 0.429 . . . . 0.0 110.046 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.37 -35.75 63.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.12 0.486 . . . . 0.0 109.928 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -42.17 84.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 49.6 mtp180 -66.86 -32.7 74.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.439 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.12 -44.79 96.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.04 -31.96 73.15 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.841 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -59.26 -50.96 72.01 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 55.7 tt0 -57.28 -54.28 48.62 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.7 0.625 . . . . 0.0 110.558 177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.65 -52.49 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.522 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.43 -28.24 67.72 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 122.341 -0.224 . . . . 0.0 110.512 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.9 -43.41 83.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 56.1 mtpt -66.43 -43.26 86.13 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.492 178.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.934 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.35 -40.28 85.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -59.24 -42.96 92.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.815 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.71 -34.9 65.02 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.002 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.88 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.11 -38.41 44.06 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.714 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.67 -35.14 66.95 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 114.773 0.669 . . . . 0.0 114.773 -173.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.65 -19.04 60.44 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 117.716 0.758 . . . . 0.0 110.97 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -93.63 -42.97 8.9 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.74 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.23 97.01 6.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.99 136.48 60.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--N 1.297 -1.713 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 175.007 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo . . . . . 0 N--CA 1.491 1.337 0 N-CA-C 113.913 0.697 . . . . 0.0 113.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -106.52 -22.78 12.68 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.158 0.504 . . . . 0.0 111.254 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -48.36 -49.15 35.65 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.75 -41.35 97.56 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.627 0.648 . . . . 0.0 111.163 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -71.26 -51.01 26.93 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.748 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.53 -51.16 70.63 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.18 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.42 71.57 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -65.01 -45.1 86.95 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -65.6 -42.08 92.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.952 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.17 -46.35 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -54.92 -54.37 43.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.377 0.671 . . . . 0.0 109.718 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 70.8 m -73.32 -15.44 61.39 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.718 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -77.39 -38.18 50.42 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.07 -53.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.18 59.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 25' ' ' ARG . 18.7 mm-40 -93.42 -61.44 1.56 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.704 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 54.82 85.42 0.06 Allowed 'General case' 0 C--O 1.251 1.174 0 C-N-CA 123.926 0.89 . . . . 0.0 111.252 -175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.95 147.56 6.08 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.0 t -64.56 -48.45 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.16 0.48 . . . . 0.0 111.773 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.16 -43.17 99.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.568 0.699 . . . . 0.0 110.107 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 55.9 mtt-85 -70.92 -32.97 70.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.279 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.69 -42.92 90.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 65.4 mtp180 -57.97 -47.22 83.59 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.586 0.554 . . . . 0.0 109.804 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.35 -55.35 34.49 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 124.127 0.892 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.23 -44.47 96.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.793 0.683 . . . . 0.0 110.921 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.45 -48.79 79.54 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.309 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.75 -40.23 75.41 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.14 -45.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 119.469 -0.892 . . . . 0.0 111.159 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -73.03 -31.87 64.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.64 -38.89 77.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.86 -43.56 71.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -55.43 -44.98 76.8 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.28 0.363 . . . . 0.0 110.521 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.09 -56.56 17.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.714 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.71 -40.15 96.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.996 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.63 -34.52 69.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.124 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -71.2 -52.91 16.47 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 123.186 0.304 . . . . 0.0 110.271 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 . . . . . 0 C--N 1.316 -0.869 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.843 -179.652 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--O 1.237 0.467 0 CA-C-O 121.057 0.357 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 15.4 ptm180 -56.51 -22.64 34.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.988 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -56.56 -44.22 80.72 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 123.295 0.638 . . . . 0.0 111.422 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.11 -39.04 92.57 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.0 0.905 . . . . 0.0 109.817 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -66.99 -46.42 74.64 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.143 -1.39 . . . . 0.0 111.21 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.6 mt-10 -70.74 -36.18 73.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.89 92.85 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 28.9 t -57.55 -41.56 81.22 Favored 'General case' 0 C--O 1.246 0.893 0 C-N-CA 123.519 0.727 . . . . 0.0 111.115 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 50.1 mtm180 -65.19 -54.18 33.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.475 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.16 -36.48 77.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -54.08 -52.66 60.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.995 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.1 m -67.35 -27.31 67.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.709 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 23.8 mt-30 -64.93 -37.95 89.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -87.94 -57.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.594 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -49.28 22.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 23.3 mm-40 -75.55 -48.27 23.16 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.12 -177.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 62.38 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.876 1.271 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.15 154.01 6.57 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.41 -54.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.378 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -30.01 70.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.774 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -57.47 -50.47 72.93 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.192 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.83 -44.99 83.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.434 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.516 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 16.9 mmt180 -62.37 -37.37 85.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.527 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 ttm180 -70.09 -39.75 75.38 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.665 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.36 -38.84 88.41 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 53.1 tp60 -55.29 -54.37 44.42 Favored 'General case' 0 C--O 1.196 -1.72 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 25.0 mt-30 -55.62 -50.25 70.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.702 0.626 . . . . 0.0 111.742 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 28' ' ' ARG . 48.7 t -65.28 -49.53 78.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.148 0.499 . . . . 0.0 111.209 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.38 -26.35 60.05 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.58 -40.38 66.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 39.5 ttpt -62.36 -42.25 99.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -67.28 -35.81 80.25 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.78 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.3 -40.75 98.23 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -65.35 -27.99 68.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.161 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.8 mt-10 -67.73 -42.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -66.91 -38.6 86.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.44 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--O 1.235 0.302 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.843 174.261 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo . . . . . 0 CA--C 1.536 0.614 0 N-CA-C 113.904 0.694 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -67.38 -39.74 85.66 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -73.19 -29.71 63.02 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.375 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.12 -44.16 97.77 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.58 -46.27 83.43 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.853 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.43 -47.4 85.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.63 76.41 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.081 0.552 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.34 -38.8 90.89 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 55.3 mtp180 -66.84 -50.56 62.18 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.488 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.22 -38.73 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.788 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -53.18 -54.55 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.538 0.735 . . . . 0.0 109.926 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.35 -30.58 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 78.8 mt-30 -61.79 -30.5 70.85 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.067 0.46 . . . . 0.0 111.131 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.41 -55.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.48 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.18 -59.44 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 15.5 mm-40 -71.74 -50.15 32.71 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.112 0.257 . . . . 0.0 110.424 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 54.52 84.83 0.06 Allowed 'General case' 0 C--O 1.244 0.797 0 C-N-CA 124.605 1.162 . . . . 0.0 111.627 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.79 143.95 4.03 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.41 -46.65 85.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 123.925 0.89 . . . . 0.0 112.657 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.77 -55.32 35.68 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 82.7 mtt180 -70.12 -29.76 66.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.41 -176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.66 -49.24 66.83 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -61.74 -39.01 90.09 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.688 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -58.49 -59.01 6.03 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.368 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.2 m -60.24 -45.23 93.97 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.78 -47.33 74.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.568 0.347 . . . . 0.0 111.22 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.15 -39.62 93.24 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.461 0.475 . . . . 0.0 110.785 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.27 -47.01 82.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.355 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.51 -33.76 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.45 0.3 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.75 -43.7 83.43 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.653 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -65.22 -41.5 94.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.397 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.0 -42.39 99.09 Favored 'General case' 0 C--O 1.208 -1.121 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.492 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.64 -43.45 98.84 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.237 0.615 . . . . 0.0 110.492 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -60.34 -42.96 96.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.834 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -80.47 -26.32 38.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.63 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -57.71 -57.54 12.29 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 124.153 0.981 . . . . 0.0 108.95 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.44 -0.951 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.828 179.097 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo . . . . . 0 N--CA 1.475 0.424 0 N-CA-C 115.086 1.148 . . . . 0.0 115.086 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -91.69 -21.7 20.62 Favored 'General case' 0 CA--C 1.479 -1.775 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.685 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -67.73 -45.82 73.93 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.971 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.14 -44.33 95.03 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.422 1.106 . . . . 0.0 108.741 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD1' HD22 ' A' ' 37' ' ' LEU . 39.0 t80 -63.87 -55.29 23.86 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 113.848 -1.524 . . . . 0.0 112.186 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 13' ' ' ARG . 8.4 tp10 -67.01 -39.14 87.0 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.137 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.93 76.6 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 51.5 t -65.76 -41.01 92.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.869 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG2' ' HG2' ' A' ' 30' ' ' GLN . 51.6 mtp180 -66.63 -46.29 76.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.25 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.57 -45.05 98.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.05 -54.58 43.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 111.05 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.32 -26.03 62.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.72 -28.34 69.52 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.73 -60.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.97 -53.54 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.33 -50.2 41.52 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.431 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.1 t60 58.62 73.95 0.46 Allowed 'General case' 0 C--O 1.244 0.786 0 O-C-N 124.468 1.105 . . . . 0.0 110.514 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.59 137.52 2.38 Favored Glycine 0 N--CA 1.43 -1.751 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 61.4 t -60.32 -50.54 79.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 C-N-CA 123.224 0.61 . . . . 0.0 110.956 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 35.1 tt0 -57.6 -50.35 73.43 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.807 0.843 . . . . 0.0 110.042 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -62.63 -40.11 95.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 53.3 tt0 -67.4 -43.7 80.68 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.444 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 22.2 mtm180 -64.68 -34.38 78.17 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.179 0.299 . . . . 0.0 110.513 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 20.3 mmm180 -58.6 -47.76 83.23 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.226 175.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.3 m -60.48 -47.88 84.21 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.106 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 25.0 mt-30 -60.46 -39.89 89.23 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.159 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.16 -45.67 84.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 117.915 0.325 . . . . 0.0 111.177 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.78 -43.59 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.638 0.732 . . . . 0.0 110.142 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.7 m -75.29 -17.52 60.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.011 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 40.7 tt0 -73.03 -34.0 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.89 -49.93 68.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.82 -38.11 77.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 9' ' ' TYR . 41.4 tp -55.62 -60.12 3.88 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.336 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -67.94 -36.98 81.06 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.174 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -65.34 -46.99 78.04 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.342 0.401 . . . . 0.0 111.674 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.59 -40.12 88.76 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.774 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 13.0 pt-20 . . . . . 0 C--O 1.21 -0.988 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.108 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo . . . . . 0 N--CA 1.488 1.177 0 N-CA-C 113.538 0.553 . . . . 0.0 113.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 14.0 ptt180 -60.4 -18.42 50.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.856 0.462 . . . . 0.0 111.193 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -60.19 -29.92 69.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.749 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.01 -42.54 99.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.87 0.843 . . . . 0.0 109.264 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 37' ' ' LEU . 13.3 t80 -64.2 -46.78 82.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.824 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -64.05 -44.85 91.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.054 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.67 88.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.311 0.577 . . . . 0.0 110.548 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -67.0 -39.28 87.07 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.865 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 9' ' ' TYR . 46.0 mtp180 -63.78 -50.38 69.26 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.03 -26.84 30.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.469 0.652 . . . . 0.0 111.355 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.21 -46.44 89.72 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.06 -22.93 63.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.663 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -65.96 -41.89 90.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.85 -36.44 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.76 -56.37 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.9 mm-40 -75.28 -57.19 4.04 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 56.66 96.22 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 112.749 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.24 152.63 7.04 Favored Glycine 0 CA--C 1.494 -1.238 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.91 -55.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 117.319 0.559 . . . . 0.0 111.859 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -68.41 -22.94 64.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 35.8 mmt180 -77.24 -42.91 35.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.49 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.1 -46.79 82.66 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.053 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.58 -45.21 89.52 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 123.963 0.789 . . . . 0.0 110.354 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -57.73 -54.76 43.24 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.897 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.38 -35.46 75.76 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.164 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.23 -44.3 92.34 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 121.296 -0.162 . . . . 0.0 110.837 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -72.19 -45.09 61.78 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.079 0.466 . . . . 0.0 110.511 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.92 -43.54 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.187 0.517 . . . . 0.0 111.343 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.1 m -72.0 -20.96 61.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 122.081 -0.387 . . . . 0.0 111.005 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.31 -31.67 48.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -67.96 -38.73 83.13 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.18 -41.51 97.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.707 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' TYR . 3.4 tm? -64.72 -38.35 90.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.376 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -64.06 -28.89 70.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.986 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 26.4 mm-40 -75.67 -48.0 23.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -52.81 -49.97 64.6 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.527 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.312 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 N--CA 1.449 -1.116 0 N-CA-C 114.374 0.874 . . . . 0.0 114.374 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.15 -35.53 80.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.7 p -68.51 -51.23 45.43 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 123.142 0.276 . . . . 0.0 111.46 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.03 -37.28 86.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 122.98 0.512 . . . . 0.0 111.405 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -65.84 -51.69 56.73 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.696 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.18 -33.38 73.28 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.505 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.96 88.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -58.4 -40.81 83.44 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -70.03 -45.72 66.56 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.85 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 18' ' ' VAL . 62.0 t -67.97 -37.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.282 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.36 -51.27 68.92 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.1 m -73.3 -25.7 60.76 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.1 -37.86 81.65 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 120.758 0.313 . . . . 0.0 110.427 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -94.25 -41.92 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.77 -46.83 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.892 -0.505 . . . . 0.0 112.169 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 7.5 mm-40 -79.62 -54.13 6.17 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 64.44 90.18 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.519 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.75 127.89 0.91 Allowed Glycine 0 N--CA 1.423 -2.226 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -52.22 -43.14 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.687 0.795 . . . . 0.0 111.494 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 11.4 pt-20 -58.01 -50.64 72.71 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.441 0.463 . . . . 0.0 111.417 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 66.8 mtt180 -74.07 -34.3 63.98 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.91 -44.67 94.16 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.46 -43.72 80.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.5 mmt180 -56.84 -47.45 80.3 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 122.558 0.343 . . . . 0.0 111.329 177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.17 -49.31 76.31 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 123.798 0.687 . . . . 0.0 110.653 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.2 -46.45 85.79 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.531 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -52.56 -51.71 58.43 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 123.669 0.606 . . . . 0.0 110.753 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 99.5 t -71.64 -48.79 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.554 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 70.8 m -62.99 -31.52 72.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.55 -38.38 59.29 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.3 tttm -61.99 -53.23 58.47 Favored 'General case' 0 N--CA 1.423 -1.814 0 O-C-N 123.313 0.383 . . . . 0.0 110.4 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 22.0 mtm180 -59.04 -36.98 75.92 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.491 0.662 . . . . 0.0 110.336 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.8 tm? -62.35 -52.34 64.03 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -61.13 -37.71 83.8 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.494 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 70.2 mm-40 -59.78 -43.96 94.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.473 0.654 . . . . 0.0 110.462 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -72.2 -24.41 61.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.032 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 24.4 mm-40 . . . . . 0 C--N 1.31 -1.15 0 CA-C-O 121.138 0.494 . . . . 0.0 109.692 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo . . . . . 0 N--CA 1.478 0.571 0 N-CA-C 112.993 0.343 . . . . 0.0 112.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -58.72 -32.83 69.56 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.956 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -60.62 -43.99 96.83 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.498 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.73 -47.13 73.26 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.972 0.892 . . . . 0.0 109.287 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 37' ' ' LEU . 16.9 t80 -62.69 -49.17 76.18 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.277 -1.328 . . . . 0.0 112.053 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.96 -40.21 94.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.52 72.78 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.984 0.421 . . . . 0.0 110.291 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.48 -45.91 78.09 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -66.03 -47.53 74.12 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.684 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.94 -37.82 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.225 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -57.04 -48.9 77.41 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 84.7 m -71.1 -29.0 64.72 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.234 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.69 -40.48 95.45 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.055 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.73 -44.63 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.72 -42.74 17.67 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 17.1 mm-40 -77.43 -56.81 4.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 t60 71.1 -43.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.02 1.328 . . . . 0.0 112.952 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.27 141.4 45.8 Favored Glycine 0 N--CA 1.448 -0.524 0 O-C-N 123.048 0.218 . . . . 0.0 112.703 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.23 -32.98 55.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 123.008 0.523 . . . . 0.0 111.251 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.64 -41.61 65.29 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -63.23 -44.85 94.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.025 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.95 -32.44 73.69 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -64.43 -37.06 86.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.14 -48.25 68.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.9 m -59.71 -44.6 93.63 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 25.3 tt0 -54.47 -47.07 73.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -53.39 55.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.716 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.95 -44.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.38 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.57 -31.94 71.5 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.337 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.9 tp10 -68.6 -41.68 79.24 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -59.9 -47.38 86.01 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.825 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.38 -44.22 84.29 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.647 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 67.7 tp -62.88 -49.65 74.0 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 123.611 0.569 . . . . 0.0 110.593 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.78 -30.89 71.6 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -81.85 -29.76 32.37 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.963 -0.46 . . . . 0.0 110.74 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -65.01 -43.52 92.23 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 N--CA 1.436 -1.171 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 178.055 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 CA--C 1.542 0.906 0 CA-C-O 120.747 0.228 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -54.96 -41.16 70.8 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.106 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -67.84 -30.88 70.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 22.5 mm-40 -66.85 -44.75 80.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.36 -42.55 79.03 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.484 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.1 -49.75 68.79 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.693 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.62 74.4 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.738 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -56.8 -44.12 81.61 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.55 0.691 . . . . 0.0 109.71 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -70.33 -46.3 64.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.22 -42.37 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.259 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -55.29 -43.87 75.17 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.881 0.472 . . . . 0.0 110.893 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 58.4 m -70.03 -32.06 70.02 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -68.2 -42.59 79.66 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.359 0.599 . . . . 0.0 109.768 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.64 -54.75 14.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.025 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.85 -49.41 8.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 16' ' ' CYS . 58.1 mm-40 -75.54 -52.05 11.53 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.225 -174.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.5 t60 59.2 103.45 0.02 OUTLIER 'General case' 0 C--O 1.248 1.005 0 C-N-CA 125.326 1.45 . . . . 0.0 112.299 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.6 4.01 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.34 -52.53 54.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -60.04 -42.3 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.447 0.641 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.03 -42.31 89.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.406 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -69.97 -39.73 75.81 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 123.077 0.551 . . . . 0.0 110.254 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.72 -38.77 91.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.175 0.59 . . . . 0.0 109.846 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 32.3 tpt180 -65.8 -51.97 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.606 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.45 -44.69 84.95 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.23 -31.8 71.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.153 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -71.13 -39.94 71.71 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ARG . 58.9 t -67.12 -48.16 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.107 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.33 -39.43 87.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.54 -40.99 89.37 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.556 0.694 . . . . 0.0 109.586 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -65.36 -49.66 68.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.49 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -65.71 -33.54 76.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.4 tm? -64.61 -43.51 93.51 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.39 -39.84 81.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -38.95 85.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 8' ' ' GLU . 34.2 ttt180 -65.1 -33.5 76.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.22 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 44.2 mt-10 . . . . . 0 N--CA 1.474 0.727 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.402 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.445 -1.362 0 CA-C-O 120.861 0.275 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.75 -29.0 64.03 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.151 0.501 . . . . 0.0 110.331 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -72.94 -34.89 66.83 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.396 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.63 -47.13 79.68 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.562 0.696 . . . . 0.0 109.143 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -62.9 -41.86 99.58 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.696 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.0 tt0 -65.93 -42.57 89.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.357 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.78 80.96 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.097 0.559 . . . . 0.0 110.621 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 40.6 t -56.58 -41.38 76.86 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.244 0.545 . . . . 0.0 110.939 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.41 -48.49 67.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.271 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.7 t -66.37 -39.82 85.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.948 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 95.1 m -74.34 -21.5 59.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.25 -43.51 98.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.37 -41.44 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.602 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.73 39.07 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 28.5 mm-40 -81.16 -47.56 13.29 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 60.82 81.05 0.2 Allowed 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.67 143.8 3.92 Favored Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.029 -1.629 . . . . 0.0 109.029 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.49 -49.34 81.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 117.132 0.466 . . . . 0.0 111.765 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.51 -41.36 76.15 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.812 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -65.0 -36.64 85.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.114 0.483 . . . . 0.0 111.282 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.35 -44.23 68.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.8 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -71.44 -26.81 62.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.908 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 32' ' ' VAL . 27.5 tpt180 -59.8 -51.65 68.81 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 72.8 m -60.12 -46.21 90.4 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.314 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -51.36 -49.11 62.1 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.677 0.611 . . . . 0.0 110.622 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.0 -44.66 65.45 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.894 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 28' ' ' ARG . 96.9 t -62.46 -47.2 94.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.187 0.518 . . . . 0.0 110.282 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -69.06 -28.53 66.62 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.347 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.66 -42.07 82.77 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 40.2 ttmt -59.67 -54.68 43.59 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.444 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.28 -35.99 72.61 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.171 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.21 -45.71 90.41 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -71.18 -35.94 71.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.958 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 17.5 mm-40 -62.52 -38.0 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -64.82 -37.98 89.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.608 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.31 -1.148 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.754 -179.145 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.876 -0.471 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -81.44 -44.68 17.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.538 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.3 p -69.77 -32.66 71.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -56.56 -48.89 76.35 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.306 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.599 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.2 t80 -67.93 -49.6 60.89 Favored 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.718 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.72 -50.8 69.36 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.785 0.678 . . . . 0.0 111.095 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.48 90.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.596 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.34 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.5 -48.58 39.45 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.951 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.2 t -60.9 -44.91 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 122.33 0.252 . . . . 0.0 111.162 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.312 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 m -67.3 -36.27 81.15 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.508 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.82 -27.66 66.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.401 0.619 . . . . 0.0 110.107 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 14' ' ' VAL . 62.9 t -80.77 -48.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.994 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.41 -43.91 14.22 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.11 -55.54 4.69 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 62.25 94.2 0.05 OUTLIER 'General case' 0 C--O 1.249 1.026 0 C-N-CA 124.816 1.246 . . . . 0.0 111.297 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.98 5.84 Favored Glycine 0 C--N 1.298 -1.528 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.3 t -72.1 -40.72 67.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 117.337 0.568 . . . . 0.0 110.618 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.87 -38.62 83.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -72.22 -32.91 67.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.403 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.62 -45.49 92.61 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 91.4 mtt180 -54.23 -36.01 63.06 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.682 0.793 . . . . 0.0 111.545 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 95.8 mtt180 -65.95 -60.03 3.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.77 -42.49 97.6 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.0 -40.52 73.49 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.417 0.687 . . . . 0.0 111.073 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -74.02 -36.43 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 111.135 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' ARG . 57.7 t -67.21 -46.2 84.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.7 m -63.28 -42.04 99.06 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.47 -40.68 97.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.21 0.604 . . . . 0.0 110.127 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 4.9 ttmp? -64.41 -44.58 90.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.138 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -73.51 -27.91 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.69 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' CD2' ' A' ' 9' ' ' TYR . 1.7 tt -59.29 -50.64 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -62.15 -36.68 82.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.29 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.2 mt-10 -68.25 -47.11 68.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.371 0.605 . . . . 0.0 110.475 176.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.192 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.216 -0.709 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.752 176.397 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.237 0.469 0 CA-C-O 120.825 0.26 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.71 -43.41 89.2 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.486 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -66.06 -34.78 78.85 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.861 0.839 . . . . 0.0 109.597 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.45 -39.21 85.37 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.937 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.44 -45.0 96.14 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.64 91.52 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.888 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 44.2 t -57.29 -39.19 75.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.133 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 47.8 mtm180 -68.41 -54.83 14.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.414 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.28 -38.67 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 111.327 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -61.63 -43.86 98.07 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.5 m -75.43 -17.62 60.12 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -70.0 -35.59 74.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.609 0.719 . . . . 0.0 109.124 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.03 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.552 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.31 67.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 24.8 mm-40 -91.13 -54.02 4.12 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.4 t60 72.49 -47.37 0.67 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.548 1.539 . . . . 0.0 112.009 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.81 135.9 51.31 Favored Glycine 0 N--CA 1.44 -1.081 0 O-C-N 123.602 0.564 . . . . 0.0 112.224 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.07 -46.7 80.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 123.634 0.773 . . . . 0.0 111.635 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.4 -42.05 88.43 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.015 0.436 . . . . 0.0 110.716 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 28' ' ' ARG . 37.3 mmt180 -69.2 -38.21 78.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.974 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.49 -40.77 85.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -58.16 -37.97 75.74 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.726 0.81 . . . . 0.0 110.304 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 30.4 tpt180 -58.62 -48.68 80.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.674 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 79.0 m -63.89 -47.39 80.82 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.251 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.07 -25.66 67.82 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.429 0.692 . . . . 0.0 112.203 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.36 -55.7 4.17 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -41.89 83.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.2 m -70.96 -28.95 64.84 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 122.102 -0.374 . . . . 0.0 111.211 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.27 -27.28 35.2 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.045 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -62.4 -43.66 98.3 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 47.5 mtm180 -70.28 -33.25 71.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.566 177.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 9' ' ' TYR . 31.2 tp -60.16 -53.23 60.25 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.506 ' HD3' ' OE2' ' A' ' 41' ' ' GLU . 12.5 tpp180 -56.13 -44.1 78.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.196 1.398 . . . . 0.0 111.377 -176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 9.3 pt-20 -75.34 -27.75 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.09 -41.27 50.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.462 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.506 ' OE2' ' HD3' ' A' ' 38' ' ' ARG . 23.2 pt-20 . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.079 0.466 . . . . 0.0 110.403 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.48 0.734 0 N-CA-C 114.144 0.786 . . . . 0.0 114.144 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -54.27 -28.66 43.23 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.9 p -66.08 -45.12 82.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.986 0.422 . . . . 0.0 111.337 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.19 -39.45 82.47 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.457 0.646 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -63.26 -45.02 93.47 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.661 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.4 tt0 -63.98 -44.87 91.39 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.169 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.65 87.06 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.174 0.59 . . . . 0.0 110.753 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.09 -42.72 86.25 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.989 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 27.8 mmm180 -68.56 -42.17 78.72 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.244 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLU . 74.0 t -58.82 -42.56 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.198 0.599 . . . . 0.0 111.007 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -60.52 -40.83 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 110.377 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -72.01 -28.89 63.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 77.3 mt-30 -67.32 -38.43 84.9 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.48 0.181 . . . . 0.0 110.714 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.45 -44.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.86 -54.95 4.34 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.18 -60.29 2.42 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 t60 69.82 -55.47 0.59 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.72 1.208 . . . . 0.0 113.282 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.99 148.1 40.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.51 -46.79 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.901 1.281 . . . . 0.0 112.515 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.49 -45.66 93.31 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.74 -39.8 80.16 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.304 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -50.39 68.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.086 0.954 . . . . 0.0 108.778 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -57.15 -36.56 70.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.897 0.879 . . . . 0.0 111.53 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -66.83 -50.79 61.46 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.35 -33.84 74.3 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.075 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -59.46 -39.26 83.05 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.65 0.78 . . . . 0.0 109.512 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.13 -52.88 7.24 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.345 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.29 -50.84 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 123.166 0.586 . . . . 0.0 112.058 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.7 -32.21 73.63 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.996 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.42 -46.64 38.78 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.37 -46.08 90.27 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.969 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -64.2 -35.68 81.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.605 0.241 . . . . 0.0 111.164 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.54 -43.61 76.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -65.86 -30.47 71.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.128 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.13 -36.15 66.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.022 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -62.27 -49.18 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.313 -1.017 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.203 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 N--CA 1.448 -1.168 0 CA-C-O 121.757 0.649 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.11 -33.3 62.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.945 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -62.59 -42.7 99.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.314 0.578 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.86 -38.71 79.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.83 -46.04 86.88 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.454 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.8 mt-10 -73.42 -26.26 60.88 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.282 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.34 90.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -60.36 -43.44 96.54 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.212 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.63 -40.47 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 10' ' ' GLU . 79.2 t -63.4 -38.09 81.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -59.14 -44.0 92.04 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.289 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 86.4 m -65.54 -33.8 76.76 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 14' ' ' VAL . 50.1 mt-30 -67.27 -34.98 78.56 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.778 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.47 -42.4 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.47 6.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -71.86 -55.93 6.66 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 55.88 85.58 0.07 Allowed 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.741 1.217 . . . . 0.0 112.323 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . 175.73 143.38 4.59 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.69 -46.82 83.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 C-N-CA 123.288 0.635 . . . . 0.0 111.902 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.92 -45.84 87.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.217 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 50.6 mtt180 -70.82 -20.83 62.52 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 99.2 mt-30 -67.02 -43.98 81.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 61.2 ttp180 -69.04 -37.41 78.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.503 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.3 mmm180 -53.61 -60.21 3.61 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.129 174.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.77 -22.98 65.17 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 24.1 tt0 -61.42 -41.29 96.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 10.5 mm100 -86.9 -52.42 5.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.291 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 93.3 t -59.74 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 123.381 0.672 . . . . 0.0 112.645 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -67.9 -23.79 65.14 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.745 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.86 -44.77 65.69 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 92.6 mttt -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.77 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.585 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 79.0 mtp180 -60.41 -41.64 94.33 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.931 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 3.4 tm? -62.06 -45.48 93.35 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.252 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.8 -22.53 59.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.288 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' A' ' 36' ' ' ARG . 46.9 mt-10 -60.87 -46.7 89.57 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 174.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -57.3 -50.62 72.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.933 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 7.5 mm-40 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.018 -177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 N--CA 1.444 -1.422 0 CA-C-O 120.61 0.171 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 37' ' ' LEU . 35.3 mmt180 -68.69 -33.61 74.24 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -73.02 -28.31 62.28 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.74 -45.08 68.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -39.23 91.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.535 176.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 33.9 tt0 -65.05 -42.77 93.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.13 75.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -63.78 -39.45 94.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' ' HA ' ' A' ' 30' ' ' GLN . 39.8 mtp180 -65.41 -51.42 60.44 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.079 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.61 -33.52 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -59.18 -48.45 81.57 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.996 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.08 -30.26 70.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -31.61 72.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.8 -58.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.95 87.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -85.37 -37.89 19.36 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 62.64 99.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.02 1.328 . . . . 0.0 111.912 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.68 145.84 4.21 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.66 -43.51 90.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 122.637 0.375 . . . . 0.0 110.981 -177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.62 -45.77 81.82 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.391 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.98 -45.26 93.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.445 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -61.71 -40.38 94.83 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.276 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -61.89 -47.44 84.98 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.686 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.5 tt0 -57.98 -43.49 86.56 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -69.8 -52.15 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 123.482 0.489 . . . . 0.0 109.725 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -58.81 -49.52 82.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.741 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.65 -27.17 64.82 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 122.285 -0.259 . . . . 0.0 111.103 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 30.6 tt0 -74.04 -38.98 63.85 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -63.06 -45.87 90.16 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.867 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -53.18 -48.42 68.06 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.893 0.477 . . . . 0.0 110.909 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' NH1' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -68.45 -40.54 81.07 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.753 -177.133 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.49 -36.78 76.83 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.36 -29.13 66.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 73.2 ttt180 -66.97 -38.59 86.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 43.8 mt-10 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.405 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo . . . . . 0 N--CA 1.461 -0.421 0 CA-C-O 121.511 0.546 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.45 -19.91 63.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.611 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -60.39 -32.38 71.26 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -71.75 -46.14 59.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.952 0.882 . . . . 0.0 108.868 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.45 -49.66 75.91 Favored 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 125.836 1.654 . . . . 0.0 111.896 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.15 -42.3 80.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.06 79.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.3 -39.65 87.71 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.896 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.92 -38.71 69.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.81 -45.6 80.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -52.22 -54.62 28.74 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.191 0.997 . . . . 0.0 110.777 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 94.8 m -70.35 -25.36 63.24 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.95 -38.22 72.84 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.395 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.63 -48.66 20.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.725 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.04 4.72 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 12.0 mm-40 -72.62 -39.16 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 t60 70.18 103.1 0.06 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.884 1.274 . . . . 0.0 110.959 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.1 149.91 5.4 Favored Glycine 0 N--CA 1.423 -2.208 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.119 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 49.7 t -70.27 -42.33 78.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.911 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.64 -32.75 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -68.05 -39.41 83.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -63.99 -44.54 92.36 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.79 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 79.5 mtp180 -62.22 -34.95 77.45 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.809 0.444 . . . . 0.0 111.507 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 28' ' ' ARG . 24.1 ttt180 -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.595 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.47 -34.36 74.25 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.972 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -58.18 -49.49 76.86 Favored 'General case' 0 C--O 1.204 -1.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.111 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -56.05 -49.0 74.96 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.807 0.692 . . . . 0.0 110.985 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.15 -45.58 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.277 0.561 . . . . 0.0 111.173 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.7 m -77.53 -17.54 57.84 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.37 -32.66 60.91 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.48 -41.49 88.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -63.21 -44.25 95.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.223 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -42.93 98.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.476 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -61.85 -37.22 83.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.934 0.494 . . . . 0.0 110.112 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -71.33 -48.6 49.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.591 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -59.56 -56.2 24.91 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 122.688 0.395 . . . . 0.0 111.329 179.162 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo . . . . . 0 N--CA 1.484 0.955 0 N-CA-C 112.765 0.256 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -55.53 -41.26 72.94 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.533 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -64.51 -26.64 68.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.83 -54.24 14.46 Favored 'General case' 0 C--O 1.243 0.72 0 O-C-N 123.12 0.263 . . . . 0.0 110.931 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.571 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -74.01 -29.24 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.681 -176.029 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.88 -36.53 80.4 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.98 70.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.209 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.6 t -62.0 -43.52 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.09 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.92 -47.41 85.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.97 -42.67 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.862 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -59.74 -50.24 74.62 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.653 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.0 m -65.24 -35.86 82.34 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.18 -20.45 59.31 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.399 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.96 -57.67 4.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.976 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.44 48.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -80.64 -52.06 8.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.97 92.34 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.62 1.568 . . . . 0.0 111.434 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.55 149.88 6.14 Favored Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.07 -51.13 57.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.049 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 1.3 mp0 -55.91 -40.32 72.89 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.008 0.923 . . . . 0.0 109.351 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 98.6 mtt180 -70.66 -35.12 72.69 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.071 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.93 -32.42 63.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.04 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -61.97 -41.49 98.06 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.68 -51.74 68.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.946 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.24 -30.44 71.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG3' ' OE1' ' A' ' 34' ' ' GLU . 33.7 tt0 -63.2 -42.63 99.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.282 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.44 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 49.0 tt0 -63.99 -33.92 76.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.04 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 55.8 t -81.54 -62.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.149 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . 0.27 88.4 m -74.02 -41.39 61.91 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -170.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE1' ' HG3' ' A' ' 30' ' ' GLN . 1.5 mp0 -63.58 -36.27 83.23 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.969 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 28.5 ttpp -71.27 -37.23 71.9 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.915 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 78.0 mtp180 -59.24 -46.68 87.84 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' A' ' 9' ' ' TYR . 3.1 tm? -64.43 -36.35 83.87 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.16 0.505 . . . . 0.0 109.817 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.93 -40.84 96.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.973 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 15.7 mm-40 -79.84 -32.91 40.56 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -50.4 -52.87 33.69 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 125.506 1.522 . . . . 0.0 109.698 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.64 177.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--O 1.237 0.453 0 CA-C-O 120.999 0.333 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 6.7 ptp180 -53.87 -40.69 66.77 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.139 -0.937 . . . . 0.0 113.164 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -75.59 -35.81 60.48 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.449 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -65.67 -45.26 83.57 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -62.4 -46.99 86.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.307 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.7 tt0 -57.5 -46.19 84.05 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.136 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.1 78.01 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.843 0.457 . . . . 0.0 111.49 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.87 -38.53 86.5 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 43.8 mtp180 -68.68 -46.35 69.29 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.037 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 10' ' ' GLU . 91.2 t -57.75 -37.49 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.121 0.568 . . . . 0.0 110.569 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -54.4 -52.94 60.14 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -67.96 -28.64 67.63 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.578 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.5 mt-30 -67.29 -25.82 66.23 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.727 0.299 . . . . 0.0 111.509 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.51 -48.64 11.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.884 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -55.23 11.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.764 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.531 ' OE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 mm-40 -79.08 -52.01 8.78 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 71.42 -41.76 0.51 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.485 1.914 . . . . 0.0 113.203 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 134.29 52.45 Favored Glycine 0 N--CA 1.444 -0.824 0 O-C-N 123.211 0.319 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.22 -42.02 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 124.222 1.009 . . . . 0.0 112.415 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.71 -50.23 73.9 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.057 0.456 . . . . 0.0 111.101 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 80.8 mtm180 -73.18 -27.25 61.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.842 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.49 -50.02 71.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.85 -34.62 78.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.945 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.07 -51.04 70.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.98 -26.08 68.67 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.864 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.39 -47.88 78.05 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.83 -38.22 38.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.87 -49.69 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.136 0.493 . . . . 0.0 109.961 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.8 m -69.98 -29.31 66.38 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.0 tt0 -68.42 -45.19 73.28 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 24.5 ttmm -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.188 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.36 -37.18 79.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.006 0.432 . . . . 0.0 110.143 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.32 -42.31 72.13 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 33.4 mmt180 -61.52 -36.82 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 111.306 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 10.5 mm-40 -71.41 -36.2 71.26 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.116 0.484 . . . . 0.0 110.192 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -68.68 -47.88 65.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.9 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 8.3 pt-20 . . . . . 0 C--O 1.204 -1.305 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.464 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.236 0.396 0 N-CA-C 109.872 -0.857 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.2 -42.23 76.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.314 . . . . 0.0 112.874 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -56.69 -36.42 69.6 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.58 -54.12 15.59 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.284 0.564 . . . . 0.0 109.724 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -62.34 -48.92 77.68 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.539 -175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.16 -47.72 84.88 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.26 90.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.524 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.76 -40.68 80.3 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.363 0.665 . . . . 0.0 110.965 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -39.35 83.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.04 -55.27 32.86 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.166 0.586 . . . . 0.0 110.701 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.9 m -72.35 -21.85 61.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.2 -39.19 89.49 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.16 -37.16 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.612 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -56.69 4.47 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -74.92 -47.27 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.732 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.7 t60 71.96 -50.16 0.69 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.778 1.231 . . . . 0.0 112.302 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.37 133.07 25.69 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.43 -39.69 70.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -173.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.28 -50.64 72.88 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -74.15 -32.13 63.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -68.14 -40.21 82.49 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -62.76 -34.05 76.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.51 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -66.49 -50.74 62.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.78 -49.32 68.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.67 -30.09 69.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.27 -38.93 71.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.68 -40.35 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 69.5 m -58.74 -47.12 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.162 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.31 -26.41 55.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.681 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 18.5 tppt? -62.45 -52.47 63.41 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -65.84 -30.57 71.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.104 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.3 tm? -66.44 -42.73 87.2 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.876 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -64.82 -35.38 80.91 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 40.8 mt-10 -64.48 -49.01 73.04 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -54.82 -43.43 72.95 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.445 1.098 . . . . 0.0 111.021 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 31.6 mt-10 . . . . . 0 C--O 1.217 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 N--CA 1.477 0.502 0 N-CA-C 114.649 0.98 . . . . 0.0 114.649 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 66.54 -59.37 0.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.07 1.348 . . . . 0.0 113.137 -175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -50.55 -41.45 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 123.838 0.855 . . . . 0.0 112.458 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -56.77 -49.78 74.27 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.73 0.776 . . . . 0.0 111.67 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -73.57 -49.84 24.32 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.247 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.79 -53.03 62.65 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.421 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.95 85.14 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.4 t -57.21 -46.97 82.42 Favored 'General case' 0 C--O 1.273 2.29 0 CA-C-O 121.339 0.59 . . . . 0.0 110.737 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -65.28 -48.77 72.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.332 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.35 -41.24 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.005 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -52.78 -53.1 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.263 0.625 . . . . 0.0 110.593 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 85.3 m -75.79 -27.39 57.98 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.302 -0.959 . . . . 0.0 113.231 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.35 -31.07 70.19 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.713 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -96.82 -50.44 11.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.919 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.95 46.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 10.1 mm-40 -83.48 -57.03 3.41 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 59.01 92.91 0.04 OUTLIER 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.518 1.527 . . . . 0.0 112.094 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.04 152.92 8.51 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.94 -49.47 83.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-N 117.716 0.758 . . . . 0.0 111.284 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.73 -42.76 99.82 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.202 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -64.75 -44.42 90.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.756 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.35 -53.41 55.48 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -67.52 -31.21 71.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -66.74 -50.5 62.55 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.47 -43.87 88.94 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.79 -37.77 71.59 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 122.911 0.485 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.28 -43.08 99.47 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 123.612 0.57 . . . . 0.0 110.178 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.48 -43.4 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.931 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.54 -44.2 85.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.874 0.47 . . . . 0.0 110.099 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 12.7 tp10 -58.89 -48.09 82.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.491 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 34.2 ttpt -61.73 -49.78 75.07 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.035 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -55.22 -40.54 70.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.558 0.743 . . . . 0.0 111.671 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.23 -39.31 75.16 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 28.8 mmm180 -67.51 -31.71 72.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.964 0.411 . . . . 0.0 110.626 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.6 mt-10 -65.04 -35.48 81.3 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 36.8 mmt180 -68.6 -30.87 69.71 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--N 1.315 -0.926 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 177.08 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo . . . . . 0 CA--C 1.543 0.968 0 N-CA-C 115.544 1.324 . . . . 0.0 115.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.7 -34.55 64.9 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 122.104 -0.372 . . . . 0.0 111.552 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -75.96 -31.91 59.26 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.444 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.0 -46.38 81.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.68 77.04 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.803 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 13' ' ' ARG . 7.1 tp10 -74.68 -42.99 57.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 109.76 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.4 70.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.97 -34.62 73.54 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 123.49 0.716 . . . . 0.0 109.627 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 10' ' ' GLU . 76.6 mtp180 -75.59 -41.92 53.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.788 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.32 -39.39 84.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 CA-C-O 121.721 0.772 . . . . 0.0 109.704 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -56.22 -46.61 79.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.248 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.32 -26.16 65.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.51 -42.83 99.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.11 -36.55 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.61 -60.41 2.19 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.07 -48.48 70.86 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 62.61 99.18 0.03 OUTLIER 'General case' 0 C--O 1.249 1.055 0 O-C-N 124.826 1.329 . . . . 0.0 110.24 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.69 134.71 1.83 Allowed Glycine 0 N--CA 1.423 -2.173 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 41.4 t -63.77 -50.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -176.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.61 -24.29 62.72 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.001 0.429 . . . . 0.0 110.046 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.37 -35.75 63.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.12 0.486 . . . . 0.0 109.928 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -42.17 84.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 49.6 mtp180 -66.86 -32.7 74.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.439 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.12 -44.79 96.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.04 -31.96 73.15 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.841 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -59.26 -50.96 72.01 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 7.3 tt0 -57.28 -54.28 48.62 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.7 0.625 . . . . 0.0 110.558 177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.65 -52.49 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.522 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.43 -28.24 67.72 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 122.341 -0.224 . . . . 0.0 110.512 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.9 -43.41 83.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 56.1 mtpt -66.43 -43.26 86.13 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.492 178.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.934 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.35 -40.28 85.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -59.24 -42.96 92.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.815 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.71 -34.9 65.02 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.002 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.88 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 N--CA 1.444 -0.775 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.714 178.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo . . . . . 0 N--CA 1.44 -1.62 0 N-CA-C 108.04 -1.562 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -118.64 177.75 4.72 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.81 -179.22 23.92 Favored Glycine 0 N--CA 1.423 -2.226 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.541 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.597 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 43.7 p -126.52 178.21 1.64 Allowed Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 4' ' ' SER . 92.8 Cg_endo -74.66 2.82 6.01 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.022 1.814 . . . . 0.0 113.913 -176.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -106.52 -22.78 12.68 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.158 0.504 . . . . 0.0 111.254 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -48.36 -49.15 35.65 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.75 -41.35 97.56 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.627 0.648 . . . . 0.0 111.163 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -71.26 -51.01 26.93 Favored 'General case' 0 N--CA 1.416 -2.146 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.748 -177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.53 -51.16 70.63 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.18 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.42 71.57 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.5 t -65.01 -45.1 86.95 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -65.6 -42.08 92.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.952 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.17 -46.35 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.712 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -54.92 -54.37 43.55 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.377 0.671 . . . . 0.0 109.718 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 70.8 m -73.32 -15.44 61.39 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.718 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -77.39 -38.18 50.42 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.07 -53.78 10.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.18 59.22 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' OE1' ' HD3' ' A' ' 25' ' ' ARG . 18.7 mm-40 -93.42 -61.44 1.56 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.704 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 54.82 85.42 0.06 Allowed 'General case' 0 C--O 1.251 1.174 0 C-N-CA 123.926 0.89 . . . . 0.0 111.252 -175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.95 147.56 6.08 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.0 t -64.56 -48.45 84.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 117.16 0.48 . . . . 0.0 111.773 -175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.16 -43.17 99.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.568 0.699 . . . . 0.0 110.107 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 55.9 mtt-85 -70.92 -32.97 70.06 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.279 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -65.69 -42.92 90.64 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 65.4 mtp180 -57.97 -47.22 83.59 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.586 0.554 . . . . 0.0 109.804 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -56.35 -55.35 34.49 Favored 'General case' 0 C--O 1.247 0.955 0 O-C-N 124.127 0.892 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.5 m -62.23 -44.47 96.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.793 0.683 . . . . 0.0 110.921 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.45 -48.79 79.54 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.309 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -56.75 -40.23 75.41 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -80.14 -45.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 C-N-CA 119.469 -0.892 . . . . 0.0 111.159 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.1 m -73.03 -31.87 64.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.64 -38.89 77.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -69.86 -43.56 71.64 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -55.43 -44.98 76.8 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.28 0.363 . . . . 0.0 110.521 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.09 -56.56 17.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.714 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.71 -40.15 96.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.996 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.63 -34.52 69.88 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.124 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -71.2 -52.91 16.47 Favored 'General case' 0 CA--C 1.507 -0.683 0 O-C-N 123.186 0.304 . . . . 0.0 110.271 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -66.67 -30.92 71.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.843 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -26.92 73.37 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -86.45 -5.0 59.26 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.704 0.802 . . . . 0.0 109.448 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -107.5 175.2 5.57 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.941 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.99 113.41 20.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.97 144.38 9.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.309 -1.179 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.781 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 N--CA 1.439 -1.683 0 N-CA-C 108.786 -1.275 . . . . 0.0 108.786 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -139.34 178.21 7.36 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.79 -4.56 87.21 Favored Glycine 0 C--N 1.31 -0.867 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -55.2 114.17 6.71 Favored Pre-proline 0 N--CA 1.432 -1.337 0 C-N-CA 125.149 1.379 . . . . 0.0 111.569 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -76.26 -0.8 10.75 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 123.742 2.961 . . . . 0.0 112.359 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 15.4 ptm180 -56.51 -22.64 34.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.988 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -56.56 -44.22 80.72 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 123.295 0.638 . . . . 0.0 111.422 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.11 -39.04 92.57 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.0 0.905 . . . . 0.0 109.817 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -66.99 -46.42 74.64 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.143 -1.39 . . . . 0.0 111.21 -179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 42.6 mt-10 -70.74 -36.18 73.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.89 92.85 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 28.9 t -57.55 -41.56 81.22 Favored 'General case' 0 C--O 1.246 0.893 0 C-N-CA 123.519 0.727 . . . . 0.0 111.115 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 50.1 mtm180 -65.19 -54.18 33.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.475 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.16 -36.48 77.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -54.08 -52.66 60.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.995 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.1 m -67.35 -27.31 67.02 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.709 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 23.8 mt-30 -64.93 -37.95 89.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -87.94 -57.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.594 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -49.28 22.5 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 23.3 mm-40 -75.55 -48.27 23.16 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.12 -177.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 62.38 101.44 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.876 1.271 . . . . 0.0 111.198 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.15 154.01 6.57 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.41 -54.69 15.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.378 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.54 -30.01 70.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.774 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -57.47 -50.47 72.93 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.192 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -65.83 -44.99 83.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.434 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.516 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 16.9 mmt180 -62.37 -37.37 85.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.527 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 32' ' ' VAL . 37.3 ttm180 -70.09 -39.75 75.38 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.665 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.36 -38.84 88.41 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 53.1 tp60 -55.29 -54.37 44.42 Favored 'General case' 0 C--O 1.196 -1.72 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 25.0 mt-30 -55.62 -50.25 70.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.702 0.626 . . . . 0.0 111.742 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 28' ' ' ARG . 48.7 t -65.28 -49.53 78.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.148 0.499 . . . . 0.0 111.209 -177.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 72.4 m -74.38 -26.35 60.05 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -72.58 -40.38 66.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 39.5 ttpt -62.36 -42.25 99.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -67.28 -35.81 80.25 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.78 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.3 -40.75 98.23 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -65.35 -27.99 68.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.161 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.8 mt-10 -67.73 -42.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -66.91 -38.6 86.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.44 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 44' ' ' ARG . 61.0 mm-40 -56.15 -47.99 77.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.843 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.39 -21.8 72.58 Favored Glycine 0 C--O 1.213 -1.189 0 CA-C-N 115.262 -0.881 . . . . 0.0 113.026 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -68.28 -27.59 66.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.234 0.517 . . . . 0.0 111.483 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 41' ' ' GLU . 9.0 ptp85 -92.62 30.69 1.48 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.667 0.746 . . . . 0.0 109.338 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.81 138.79 47.38 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.35 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -94.02 94.09 4.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 CA-C-O 121.927 0.87 . . . . 0.0 111.184 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--N 1.293 -1.868 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.398 176.551 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo . . . . . 0 N--CA 1.442 -1.544 0 N-CA-C 109.109 -1.15 . . . . 0.0 109.109 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -102.37 175.8 5.4 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.04 159.35 22.05 Favored Glycine 0 N--CA 1.426 -1.975 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -70.65 143.38 89.78 Favored Pre-proline 0 C--N 1.3 -1.564 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.29 -39.83 79.78 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.064 2.509 . . . . 0.0 113.904 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -67.38 -39.74 85.66 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 p -73.19 -29.71 63.02 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.375 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -61.12 -44.16 97.77 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -64.58 -46.27 83.43 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.853 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.43 -47.4 85.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.63 76.41 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.081 0.552 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.9 t -62.34 -38.8 90.89 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-O 121.453 0.644 . . . . 0.0 110.024 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 55.3 mtp180 -66.84 -50.56 62.18 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.488 177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.22 -38.73 76.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.788 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -53.18 -54.55 34.24 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.538 0.735 . . . . 0.0 109.926 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.35 -30.58 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 78.8 mt-30 -61.79 -30.5 70.85 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.067 0.46 . . . . 0.0 111.131 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -88.41 -55.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.48 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.18 -59.44 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 15.5 mm-40 -71.74 -50.15 32.71 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 123.112 0.257 . . . . 0.0 110.424 -175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 54.52 84.83 0.06 Allowed 'General case' 0 C--O 1.244 0.797 0 C-N-CA 124.605 1.162 . . . . 0.0 111.627 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.79 143.95 4.03 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -57.41 -46.65 85.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 123.925 0.89 . . . . 0.0 112.657 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.77 -55.32 35.68 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.58 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 82.7 mtt180 -70.12 -29.76 66.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.41 -176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.66 -49.24 66.83 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -61.74 -39.01 90.09 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.688 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -58.49 -59.01 6.03 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.368 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.2 m -60.24 -45.23 93.97 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -54.78 -47.33 74.07 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.568 0.347 . . . . 0.0 111.22 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.15 -39.62 93.24 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.461 0.475 . . . . 0.0 110.785 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.27 -47.01 82.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.355 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.5 m -63.51 -33.76 76.29 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.45 0.3 . . . . 0.0 110.443 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.75 -43.7 83.43 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.653 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -65.22 -41.5 94.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.397 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -62.0 -42.39 99.09 Favored 'General case' 0 C--O 1.208 -1.121 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.492 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.64 -43.45 98.84 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 123.237 0.615 . . . . 0.0 110.492 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -60.34 -42.96 96.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.834 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -80.47 -26.32 38.34 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.63 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -57.71 -57.54 12.29 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 124.153 0.981 . . . . 0.0 108.95 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.64 -39.96 56.94 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.828 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 45' ' ' GLU . . . -59.43 -17.65 40.66 Favored Glycine 0 N--CA 1.468 0.823 0 O-C-N 123.794 0.684 . . . . 0.0 114.503 -176.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -66.19 -31.31 72.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.325 0.583 . . . . 0.0 109.439 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -110.8 -52.16 2.81 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.903 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' HA2' ' A' ' 42' ' ' GLY . 9.1 mm-40 -80.75 104.13 11.07 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -98.34 100.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--N 1.301 -1.503 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.258 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo . . . . . 0 N--CA 1.433 -2.037 0 N-CA-C 110.364 -0.668 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -171.67 101.36 0.19 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.59 49.87 4.69 Favored Glycine 0 C--N 1.307 -1.05 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.543 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 10.9 m -97.19 141.63 23.33 Favored Pre-proline 0 N--CA 1.432 -1.353 0 C-N-CA 122.971 0.509 . . . . 0.0 110.033 -176.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -60.67 -37.5 78.88 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 C-N-CA 123.667 2.912 . . . . 0.0 115.086 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -91.69 -21.7 20.62 Favored 'General case' 0 CA--C 1.479 -1.775 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.685 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 4' ' ' SER . 15.9 m -67.73 -45.82 73.93 Favored 'General case' 0 N--CA 1.407 -2.624 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.971 178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.14 -44.33 95.03 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.422 1.106 . . . . 0.0 108.741 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD1' HD22 ' A' ' 37' ' ' LEU . 39.0 t80 -63.87 -55.29 23.86 Favored 'General case' 0 N--CA 1.414 -2.239 0 CA-C-N 113.848 -1.524 . . . . 0.0 112.186 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 13' ' ' ARG . 8.4 tp10 -67.01 -39.14 87.0 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.137 -175.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.68 -34.93 76.6 Favored 'General case' 0 C--O 1.218 -0.556 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 51.5 t -65.76 -41.01 92.6 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.869 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG2' ' HG2' ' A' ' 30' ' ' GLN . 51.6 mtp180 -66.63 -46.29 76.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.25 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.57 -45.05 98.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.065 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.05 -54.58 43.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 111.05 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.32 -26.03 62.67 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.72 -28.34 69.52 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -95.73 -60.74 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.667 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.97 -53.54 48.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -70.33 -50.2 41.52 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.431 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.1 t60 58.62 73.95 0.46 Allowed 'General case' 0 C--O 1.244 0.786 0 O-C-N 124.468 1.105 . . . . 0.0 110.514 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.59 137.52 2.38 Favored Glycine 0 N--CA 1.43 -1.751 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 61.4 t -60.32 -50.54 79.89 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 C-N-CA 123.224 0.61 . . . . 0.0 110.956 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 35.1 tt0 -57.6 -50.35 73.43 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.807 0.843 . . . . 0.0 110.042 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -62.63 -40.11 95.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 53.3 tt0 -67.4 -43.7 80.68 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.444 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 22.2 mtm180 -64.68 -34.38 78.17 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 123.179 0.299 . . . . 0.0 110.513 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 20.3 mmm180 -58.6 -47.76 83.23 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.226 175.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.3 m -60.48 -47.88 84.21 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.106 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 26' ' ' GLN . 25.0 mt-30 -60.46 -39.89 89.23 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.159 -177.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.16 -45.67 84.0 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 117.915 0.325 . . . . 0.0 111.177 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.78 -43.59 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.638 0.732 . . . . 0.0 110.142 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 80.7 m -75.29 -17.52 60.26 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.011 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 40.7 tt0 -73.03 -34.0 66.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -64.89 -49.93 68.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -58.82 -38.11 77.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD22 ' CD1' ' A' ' 9' ' ' TYR . 41.4 tp -55.62 -60.12 3.88 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.336 175.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -67.94 -36.98 81.06 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.174 -175.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 70.1 mt-10 -65.34 -46.99 78.04 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 123.342 0.401 . . . . 0.0 111.674 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -66.59 -40.12 88.76 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.774 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 13.0 pt-20 -73.24 -35.34 66.24 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.108 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.84 -25.43 74.92 Favored Glycine 0 C--O 1.244 0.764 0 C-N-CA 121.578 -0.344 . . . . 0.0 112.366 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' NH1' ' HB3' ' A' ' 39' ' ' GLU . 64.9 mtt85 -84.74 -32.91 23.22 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 120.693 0.282 . . . . 0.0 111.298 176.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -76.11 -40.35 53.11 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.233 0.54 . . . . 0.0 109.75 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.7 93.83 8.23 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.502 176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.39 137.08 23.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.633 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 C--N 1.283 -2.313 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.291 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.436 -1.908 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.33 -179.07 0.2 Allowed 'General case' 0 C--O 1.247 0.923 0 C-N-CA 124.667 1.187 . . . . 0.0 111.426 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.67 -44.88 0.18 Allowed Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.8 m -98.28 118.27 63.73 Favored Pre-proline 0 N--CA 1.427 -1.593 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.72 -14.36 39.84 Favored 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 123.425 2.75 . . . . 0.0 113.538 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 9' ' ' TYR . 14.0 ptt180 -60.4 -18.42 50.56 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.856 0.462 . . . . 0.0 111.193 176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 p -60.19 -29.92 69.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.749 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -63.01 -42.54 99.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.87 0.843 . . . . 0.0 109.264 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.488 ' HB2' ' HB2' ' A' ' 37' ' ' LEU . 13.3 t80 -64.2 -46.78 82.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.457 -1.247 . . . . 0.0 109.824 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -64.05 -44.85 91.21 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.054 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 -38.67 88.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.311 0.577 . . . . 0.0 110.548 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.6 t -67.0 -39.28 87.07 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.865 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 9' ' ' TYR . 46.0 mtp180 -63.78 -50.38 69.26 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.632 178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.03 -26.84 30.69 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.469 0.652 . . . . 0.0 111.355 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -60.21 -46.44 89.72 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.06 -22.93 63.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.663 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -65.96 -41.89 90.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -87.85 -36.44 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.76 -56.37 3.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.9 mm-40 -75.28 -57.19 4.04 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 56.66 96.22 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.777 1.231 . . . . 0.0 112.749 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.24 152.63 7.04 Favored Glycine 0 CA--C 1.494 -1.238 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.7 t -60.91 -55.17 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 117.319 0.559 . . . . 0.0 111.859 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -68.41 -22.94 64.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 110.794 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 35.8 mmt180 -77.24 -42.91 35.41 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.49 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.1 -46.79 82.66 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.053 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -58.58 -45.21 89.52 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 123.963 0.789 . . . . 0.0 110.354 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -57.73 -54.76 43.24 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.897 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.38 -35.46 75.76 Favored 'General case' 0 C--O 1.197 -1.668 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.164 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.23 -44.3 92.34 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 121.296 -0.162 . . . . 0.0 110.837 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -72.19 -45.09 61.78 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.079 0.466 . . . . 0.0 110.511 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.92 -43.54 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.187 0.517 . . . . 0.0 111.343 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.1 m -72.0 -20.96 61.63 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 122.081 -0.387 . . . . 0.0 111.005 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.31 -31.67 48.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -67.96 -38.73 83.13 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.18 -41.51 97.08 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.707 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' TYR . 3.4 tm? -64.72 -38.35 90.68 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.376 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -64.06 -28.89 70.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.986 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 26.4 mm-40 -75.67 -48.0 23.91 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -52.81 -49.97 64.6 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.527 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.83 -41.58 29.82 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -29.65 75.11 Favored Glycine 0 N--CA 1.463 0.451 0 O-C-N 123.451 0.469 . . . . 0.0 113.722 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -71.06 -23.63 62.17 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.422 0.629 . . . . 0.0 109.903 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.73 -62.58 1.39 Allowed 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.69 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -129.2 143.4 50.84 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.3 m -93.55 3.03 8.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 121.893 0.854 . . . . 0.0 109.46 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 114.529 -1.214 . . . . 0.0 109.088 179.037 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.444 -1.383 0 N-CA-C 111.226 -0.336 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -119.05 159.54 23.72 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.98 -0.45 . . . . 0.0 110.919 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -127.89 58.94 0.69 Allowed Glycine 0 C--N 1.299 -1.486 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 15.1 m -76.17 125.12 88.26 Favored Pre-proline 0 N--CA 1.435 -1.187 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.4 -51.83 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 122.151 1.901 . . . . 0.0 114.374 -177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -66.15 -35.53 80.73 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 4' ' ' SER . 32.7 p -68.51 -51.23 45.43 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 123.142 0.276 . . . . 0.0 111.46 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.03 -37.28 86.58 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 122.98 0.512 . . . . 0.0 111.405 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -65.84 -51.69 56.73 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.696 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -69.18 -33.38 73.28 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.505 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.96 88.17 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -58.4 -40.81 83.44 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -70.03 -45.72 66.56 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.85 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 18' ' ' VAL . 62.0 t -67.97 -37.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.282 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.36 -51.27 68.92 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.1 m -73.3 -25.7 60.76 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.1 -37.86 81.65 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 120.758 0.313 . . . . 0.0 110.427 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -94.25 -41.92 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.77 -46.83 23.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.892 -0.505 . . . . 0.0 112.169 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 7.5 mm-40 -79.62 -54.13 6.17 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 64.44 90.18 0.09 Allowed 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.519 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.75 127.89 0.91 Allowed Glycine 0 N--CA 1.423 -2.226 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -52.22 -43.14 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.687 0.795 . . . . 0.0 111.494 -177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 11.4 pt-20 -58.01 -50.64 72.71 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.441 0.463 . . . . 0.0 111.417 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HD3' ' OE1' ' A' ' 20' ' ' GLU . 66.8 mtt180 -74.07 -34.3 63.98 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.91 -44.67 94.16 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.46 -43.72 80.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 30.5 mmt180 -56.84 -47.45 80.3 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 122.558 0.343 . . . . 0.0 111.329 177.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.17 -49.31 76.31 Favored 'General case' 0 N--CA 1.434 -1.236 0 O-C-N 123.798 0.687 . . . . 0.0 110.653 177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -58.2 -46.45 85.79 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.531 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -52.56 -51.71 58.43 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 123.669 0.606 . . . . 0.0 110.753 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 99.5 t -71.64 -48.79 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.554 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 70.8 m -62.99 -31.52 72.66 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.55 -38.38 59.29 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.3 tttm -61.99 -53.23 58.47 Favored 'General case' 0 N--CA 1.423 -1.814 0 O-C-N 123.313 0.383 . . . . 0.0 110.4 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 22.0 mtm180 -59.04 -36.98 75.92 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.491 0.662 . . . . 0.0 110.336 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.8 tm? -62.35 -52.34 64.03 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -61.13 -37.71 83.8 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.494 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 70.2 mm-40 -59.78 -43.96 94.15 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.473 0.654 . . . . 0.0 110.462 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -72.2 -24.41 61.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.032 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 24.4 mm-40 -84.06 -44.44 14.09 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.138 0.494 . . . . 0.0 109.692 176.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.89 -25.77 72.02 Favored Glycine 0 C--O 1.226 -0.379 0 CA-C-N 115.516 -0.766 . . . . 0.0 113.583 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.25 -13.41 62.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.6 mtm-85 -104.18 10.84 35.62 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -117.94 136.84 53.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.1 t 67.38 94.86 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.29 1.036 . . . . 0.0 110.835 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 CA--C 1.487 -1.455 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 -179.027 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.451 -0.979 0 N-CA-C 108.057 -1.555 . . . . 0.0 108.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 66.86 104.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.297 0.998 . . . . 0.0 110.672 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.07 65.58 0.32 Allowed Glycine 0 N--CA 1.427 -1.935 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.633 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 24.6 m -111.13 102.14 52.08 Favored Pre-proline 0 C--N 1.297 -1.69 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 4' ' ' SER . 19.7 Cg_endo -57.72 -20.71 44.14 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 123.229 2.619 . . . . 0.0 112.993 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -58.72 -32.83 69.56 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.956 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 p -60.62 -43.99 96.83 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.498 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.73 -47.13 73.26 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.972 0.892 . . . . 0.0 109.287 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 37' ' ' LEU . 16.9 t80 -62.69 -49.17 76.18 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.277 -1.328 . . . . 0.0 112.053 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.96 -40.21 94.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.52 72.78 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.984 0.421 . . . . 0.0 110.291 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.48 -45.91 78.09 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -66.03 -47.53 74.12 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.684 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.94 -37.82 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.225 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -57.04 -48.9 77.41 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 84.7 m -71.1 -29.0 64.72 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.234 178.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.69 -40.48 95.45 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.055 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.73 -44.63 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.72 -42.74 17.67 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 17.1 mm-40 -77.43 -56.81 4.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 t60 71.1 -43.1 0.55 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.02 1.328 . . . . 0.0 112.952 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.27 141.4 45.8 Favored Glycine 0 N--CA 1.448 -0.524 0 O-C-N 123.048 0.218 . . . . 0.0 112.703 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.23 -32.98 55.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 123.008 0.523 . . . . 0.0 111.251 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -72.64 -41.61 65.29 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -63.23 -44.85 94.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.025 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.95 -32.44 73.69 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -64.43 -37.06 86.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -67.14 -48.25 68.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.9 m -59.71 -44.6 93.63 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 25.3 tt0 -54.47 -47.07 73.39 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.23 -53.39 55.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.716 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.95 -44.03 85.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.38 -176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.0 m -68.57 -31.94 71.5 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.337 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 9.9 tp10 -68.6 -41.68 79.24 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -59.9 -47.38 86.01 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.825 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.38 -44.22 84.29 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.647 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 67.7 tp -62.88 -49.65 74.0 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 123.611 0.569 . . . . 0.0 110.593 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.78 -30.89 71.6 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' ARG . 39.0 mm-40 -81.85 -29.76 32.37 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.963 -0.46 . . . . 0.0 110.74 173.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -65.01 -43.52 92.23 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.26 -58.98 2.96 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.821 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 46' ' ' VAL . . . -82.31 -22.31 59.03 Favored Glycine 0 CA--C 1.509 -0.341 0 N-CA-C 115.989 1.156 . . . . 0.0 115.989 -168.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 18.8 tpp180 -88.97 -23.96 22.52 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.06 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -95.03 -44.98 7.43 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -137.53 89.67 2.44 Favored 'General case' 0 C--O 1.247 0.961 0 CA-C-O 122.196 0.998 . . . . 0.0 111.343 170.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 42' ' ' GLY . 12.5 p -71.16 139.18 20.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.732 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 CA--C 1.487 -1.449 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 174.07 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.443 -1.456 0 N-CA-C 109.916 -0.84 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.44 144.84 31.12 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.857 0.361 . . . . 0.0 111.527 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.05 59.82 4.47 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -149.4 141.36 14.97 Favored Pre-proline 0 N--CA 1.428 -1.541 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.57 -10.8 27.33 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.268 1.979 . . . . 0.0 112.57 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -54.96 -41.16 70.8 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.106 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 p -67.84 -30.88 70.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' NH1' ' A' ' 40' ' ' ARG . 22.5 mm-40 -66.85 -44.75 80.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -68.36 -42.55 79.03 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.484 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.1 -49.75 68.79 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.693 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.62 74.4 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.738 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.1 t -56.8 -44.12 81.61 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 121.55 0.691 . . . . 0.0 109.71 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -70.33 -46.3 64.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.103 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -60.22 -42.37 90.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.259 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -55.29 -43.87 75.17 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 122.881 0.472 . . . . 0.0 110.893 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 58.4 m -70.03 -32.06 70.02 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -68.2 -42.59 79.66 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.359 0.599 . . . . 0.0 109.768 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.64 -54.75 14.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.025 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.85 -49.41 8.42 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -172.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 16' ' ' CYS . 58.1 mm-40 -75.54 -52.05 11.53 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.225 -174.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.5 t60 59.2 103.45 0.02 OUTLIER 'General case' 0 C--O 1.248 1.005 0 C-N-CA 125.326 1.45 . . . . 0.0 112.299 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.52 144.6 4.01 Favored Glycine 0 N--CA 1.423 -2.17 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.34 -52.53 54.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -60.04 -42.3 94.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.447 0.641 . . . . 0.0 110.29 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.03 -42.31 89.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.406 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -69.97 -39.73 75.81 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 123.077 0.551 . . . . 0.0 110.254 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.72 -38.77 91.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.175 0.59 . . . . 0.0 109.846 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' VAL . 32.3 tpt180 -65.8 -51.97 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.606 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.45 -44.69 84.95 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -61.23 -31.8 71.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.153 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -71.13 -39.94 71.71 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ARG . 58.9 t -67.12 -48.16 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.107 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.33 -39.43 87.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.043 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.54 -40.99 89.37 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.556 0.694 . . . . 0.0 109.586 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -65.36 -49.66 68.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.49 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -65.71 -33.54 76.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.895 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.4 tm? -64.61 -43.51 93.51 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.39 -39.84 81.54 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -38.95 85.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' NH1' ' HG3' ' A' ' 8' ' ' GLU . 34.2 ttt180 -65.1 -33.5 76.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.22 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 44.2 mt-10 -69.88 -24.75 63.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.402 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.12 -23.68 54.31 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -78.36 -46.47 19.91 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 122.659 0.384 . . . . 0.0 110.624 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -90.65 136.31 33.15 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.058 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -84.15 170.4 13.84 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.155 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.12 149.47 6.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 120.937 0.399 . . . . 0.0 110.867 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.472 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 N--CA 1.445 -1.352 0 N-CA-C 107.858 -1.632 . . . . 0.0 107.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 68.65 -179.93 0.23 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.174 1.389 . . . . 0.0 110.758 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.577 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . -117.89 77.63 0.29 Allowed Glycine 0 N--CA 1.425 -2.035 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 172.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.3 m -94.33 105.09 15.97 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.577 ' HD3' ' O ' ' A' ' 3' ' ' GLY . 57.9 Cg_endo -96.05 -18.02 0.31 Allowed 'Trans proline' 0 N--CA 1.445 -1.362 0 C-N-CA 122.299 1.999 . . . . 0.0 112.554 175.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -71.75 -29.0 64.03 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.151 0.501 . . . . 0.0 110.331 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -72.94 -34.89 66.83 Favored 'General case' 0 N--CA 1.427 -1.597 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.396 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.63 -47.13 79.68 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.562 0.696 . . . . 0.0 109.143 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -62.9 -41.86 99.58 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.696 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 44.0 tt0 -65.93 -42.57 89.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.357 176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.78 80.96 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.097 0.559 . . . . 0.0 110.621 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 40.6 t -56.58 -41.38 76.86 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.244 0.545 . . . . 0.0 110.939 176.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -67.41 -48.49 67.17 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.271 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.7 t -66.37 -39.82 85.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.038 -177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.948 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 95.1 m -74.34 -21.5 59.66 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.25 -43.51 98.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -92.37 -41.44 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.602 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.73 39.07 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 28.5 mm-40 -81.16 -47.56 13.29 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 60.82 81.05 0.2 Allowed 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.67 143.8 3.92 Favored Glycine 0 N--CA 1.437 -1.29 0 N-CA-C 109.029 -1.629 . . . . 0.0 109.029 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.49 -49.34 81.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 117.132 0.466 . . . . 0.0 111.765 -174.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -69.51 -41.36 76.15 Favored 'General case' 0 C--O 1.214 -0.803 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.812 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -65.0 -36.64 85.07 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.114 0.483 . . . . 0.0 111.282 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.35 -44.23 68.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.8 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -71.44 -26.81 62.89 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.908 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 32' ' ' VAL . 27.5 tpt180 -59.8 -51.65 68.81 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 72.8 m -60.12 -46.21 90.4 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.314 176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -51.36 -49.11 62.1 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 123.677 0.611 . . . . 0.0 110.622 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -71.0 -44.66 65.45 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.894 -177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 28' ' ' ARG . 96.9 t -62.46 -47.2 94.13 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 121.187 0.518 . . . . 0.0 110.282 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -69.06 -28.53 66.62 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.347 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -67.66 -42.07 82.77 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 40.2 ttmt -59.67 -54.68 43.59 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.444 176.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.28 -35.99 72.61 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.171 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.21 -45.71 90.41 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -71.18 -35.94 71.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.958 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 17.5 mm-40 -62.52 -38.0 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 31.5 ttm180 -64.82 -37.98 89.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.608 178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -80.96 -36.17 31.22 Favored 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.754 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.22 -43.21 13.68 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.007 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -89.76 -3.32 58.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.409 0.605 . . . . 0.0 112.566 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 97.6 mtt180 -121.96 178.7 4.78 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -75.95 159.39 30.93 Favored 'General case' 0 C--O 1.251 1.178 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.1 t -73.45 108.68 5.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.115 0.966 . . . . 0.0 109.023 -178.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.444 -1.405 0 N-CA-C 109.485 -1.006 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -95.95 -177.62 4.08 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.35 110.56 2.26 Favored Glycine 0 N--CA 1.431 -1.691 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.515 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 42.6 t -81.76 127.28 73.14 Favored Pre-proline 0 C--N 1.302 -1.463 0 CA-C-O 121.008 0.433 . . . . 0.0 111.002 -176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.28 -18.28 23.51 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.36 2.04 . . . . 0.0 110.876 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -81.44 -44.68 17.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.538 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.515 ' OG1' ' HB3' ' A' ' 4' ' ' SER . 32.3 p -69.77 -32.66 71.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.219 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -56.56 -48.89 76.35 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.306 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.599 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.2 t80 -67.93 -49.6 60.89 Favored 'General case' 0 N--CA 1.416 -2.139 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.718 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -55.72 -50.8 69.36 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.785 0.678 . . . . 0.0 111.095 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.48 90.62 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.903 0.382 . . . . 0.0 110.596 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.5 t -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.34 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -72.5 -48.58 39.45 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.951 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 18' ' ' VAL . 96.2 t -60.9 -44.91 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 122.33 0.252 . . . . 0.0 111.162 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.312 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.1 m -67.3 -36.27 81.15 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.508 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.82 -27.66 66.91 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.401 0.619 . . . . 0.0 110.107 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 14' ' ' VAL . 62.9 t -80.77 -48.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.994 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.41 -43.91 14.22 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.11 -55.54 4.69 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 62.25 94.2 0.05 OUTLIER 'General case' 0 C--O 1.249 1.026 0 C-N-CA 124.816 1.246 . . . . 0.0 111.297 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.98 5.84 Favored Glycine 0 C--N 1.298 -1.528 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 59.3 t -72.1 -40.72 67.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 117.337 0.568 . . . . 0.0 110.618 -176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.87 -38.62 83.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -72.22 -32.91 67.17 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.403 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.62 -45.49 92.61 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 91.4 mtt180 -54.23 -36.01 63.06 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.682 0.793 . . . . 0.0 111.545 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 95.8 mtt180 -65.95 -60.03 3.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.6 m -60.77 -42.49 97.6 Favored 'General case' 0 C--O 1.2 -1.523 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.0 -40.52 73.49 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.417 0.687 . . . . 0.0 111.073 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -74.02 -36.43 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 111.135 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' ARG . 57.7 t -67.21 -46.2 84.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.7 m -63.28 -42.04 99.06 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.054 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -63.47 -40.68 97.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.21 0.604 . . . . 0.0 110.127 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 4.9 ttmp? -64.41 -44.58 90.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.138 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -73.51 -27.91 61.61 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.69 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' CD2' ' A' ' 9' ' ' TYR . 1.7 tt -59.29 -50.64 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.125 -1.806 . . . . 0.0 106.125 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -62.15 -36.68 82.57 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.29 -177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.2 mt-10 -68.25 -47.11 68.62 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.371 0.605 . . . . 0.0 110.475 176.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.192 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -81.24 -18.27 46.63 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.752 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.0 56.97 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -86.52 -2.23 58.29 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.618 0.767 . . . . 0.0 113.049 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -120.21 151.71 38.75 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -83.25 101.48 11.28 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.47 -39.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 CA--C 1.497 -1.091 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo . . . . . 0 N--CA 1.447 -1.233 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -98.43 118.21 34.6 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.722 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.35 65.83 1.53 Allowed Glycine 0 N--CA 1.435 -1.425 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 p -90.41 113.08 56.28 Favored Pre-proline 0 C--N 1.299 -1.596 0 C-N-CA 122.81 0.444 . . . . 0.0 110.308 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.81 -24.45 21.31 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 121.551 1.5 . . . . 0.0 112.07 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.71 -43.41 89.2 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.486 -177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.0 p -66.06 -34.78 78.85 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -67.84 -46.72 70.99 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.861 0.839 . . . . 0.0 109.597 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.529 ' CD2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -67.45 -39.21 85.37 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.937 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.44 -45.0 96.14 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.64 91.52 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.888 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 29' ' ' CYS . 44.2 t -57.29 -39.19 75.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.133 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 9' ' ' TYR . 47.8 mtm180 -68.41 -54.83 14.57 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.414 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.28 -38.67 83.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.494 0.664 . . . . 0.0 111.327 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -61.63 -43.86 98.07 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.656 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 99.5 m -75.43 -17.62 60.12 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -70.0 -35.59 74.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.609 0.719 . . . . 0.0 109.124 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -87.03 -55.83 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.552 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.17 -41.31 67.2 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 24.8 mm-40 -91.13 -54.02 4.12 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.4 t60 72.49 -47.37 0.67 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.548 1.539 . . . . 0.0 112.009 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.81 135.9 51.31 Favored Glycine 0 N--CA 1.44 -1.081 0 O-C-N 123.602 0.564 . . . . 0.0 112.224 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -56.07 -46.7 80.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 123.634 0.773 . . . . 0.0 111.635 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.4 -42.05 88.43 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 121.015 0.436 . . . . 0.0 110.716 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 28' ' ' ARG . 37.3 mmt180 -69.2 -38.21 78.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.974 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.49 -40.77 85.23 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -58.16 -37.97 75.74 Favored 'General case' 0 C--O 1.215 -0.713 0 C-N-CA 123.726 0.81 . . . . 0.0 110.304 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 25' ' ' ARG . 30.4 tpt180 -58.62 -48.68 80.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.674 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 79.0 m -63.89 -47.39 80.82 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.251 177.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.07 -25.66 67.82 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.429 0.692 . . . . 0.0 112.203 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.36 -55.7 4.17 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.32 -41.89 83.96 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.2 m -70.96 -28.95 64.84 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 122.102 -0.374 . . . . 0.0 111.211 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -81.27 -27.28 35.2 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.045 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -62.4 -43.66 98.3 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 47.5 mtm180 -70.28 -33.25 71.34 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.566 177.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 9' ' ' TYR . 31.2 tp -60.16 -53.23 60.25 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.506 ' HD3' ' OE2' ' A' ' 41' ' ' GLU . 12.5 tpp180 -56.13 -44.1 78.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.196 1.398 . . . . 0.0 111.377 -176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 9.3 pt-20 -75.34 -27.75 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.09 -41.27 50.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.462 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' OE2' ' HD3' ' A' ' 38' ' ' ARG . 23.2 pt-20 -71.18 -24.56 62.26 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.079 0.466 . . . . 0.0 110.403 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.19 -36.02 32.42 Favored Glycine 0 N--CA 1.433 -1.555 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.472 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -79.22 -46.38 17.98 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.069 0.461 . . . . 0.0 109.843 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -116.38 114.37 24.19 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -82.86 79.49 9.22 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.8 t 61.37 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.77 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.316 178.312 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 N--CA 1.445 -1.355 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -113.62 154.19 27.61 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.31 144.88 5.55 Favored Glycine 0 C--N 1.301 -1.411 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.2 m 65.62 101.7 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.739 1.216 . . . . 0.0 110.864 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -49.86 -34.93 38.34 Favored 'Trans proline' 0 C--N 1.363 1.315 0 C-N-CA 123.766 2.978 . . . . 0.0 114.144 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -54.27 -28.66 43.23 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 76.9 p -66.08 -45.12 82.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.986 0.422 . . . . 0.0 111.337 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -68.19 -39.45 82.47 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.457 0.646 . . . . 0.0 110.073 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -63.26 -45.02 93.47 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.661 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.4 tt0 -63.98 -44.87 91.39 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.169 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.65 87.06 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 123.174 0.59 . . . . 0.0 110.753 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.1 t -58.09 -42.72 86.25 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.989 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 27.8 mmm180 -68.56 -42.17 78.72 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.244 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLU . 74.0 t -58.82 -42.56 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.198 0.599 . . . . 0.0 111.007 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -60.52 -40.83 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.284 0.564 . . . . 0.0 110.377 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.4 m -72.01 -28.89 63.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 77.3 mt-30 -67.32 -38.43 84.9 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.48 0.181 . . . . 0.0 110.714 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.45 -44.12 18.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.86 -54.95 4.34 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.18 -60.29 2.42 Favored 'General case' 0 C--N 1.309 -1.18 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 t60 69.82 -55.47 0.59 Allowed 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.72 1.208 . . . . 0.0 113.282 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.99 148.1 40.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -55.51 -46.79 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.901 1.281 . . . . 0.0 112.515 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.49 -45.66 93.31 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -68.74 -39.8 80.16 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.304 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.94 -50.39 68.99 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.086 0.954 . . . . 0.0 108.778 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -57.15 -36.56 70.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.897 0.879 . . . . 0.0 111.53 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -66.83 -50.79 61.46 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.35 -33.84 74.3 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.075 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -59.46 -39.26 83.05 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 123.65 0.78 . . . . 0.0 109.512 178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.13 -52.88 7.24 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.345 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.7 t -57.29 -50.84 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 123.166 0.586 . . . . 0.0 112.058 -176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 64.0 m -63.7 -32.21 73.63 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.252 -0.179 . . . . 0.0 110.996 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -74.42 -46.64 38.78 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.37 -46.08 90.27 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.969 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -64.2 -35.68 81.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.605 0.241 . . . . 0.0 111.164 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.54 -43.61 76.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -65.86 -30.47 71.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.128 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.13 -36.15 66.64 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.022 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -62.27 -49.18 76.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.203 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.31 -13.41 76.69 Favored Glycine 0 C--N 1.309 -0.964 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.805 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 2.6 tpm_? -82.72 -7.93 59.62 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.401 0.619 . . . . 0.0 110.066 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -136.15 176.08 9.02 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -97.4 107.75 20.32 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 172.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -95.72 84.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 CA-C-O 122.186 0.993 . . . . 0.0 112.713 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo . . . . . 0 N--CA 1.444 -1.422 0 N-CA-C 108.311 -1.457 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -131.14 142.73 50.27 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 120.533 0.206 . . . . 0.0 111.128 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.69 -30.79 47.1 Favored Glycine 0 N--CA 1.431 -1.645 0 O-C-N 123.925 0.765 . . . . 0.0 111.872 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.8 t -105.51 104.91 50.47 Favored Pre-proline 0 N--CA 1.428 -1.545 0 CA-C-O 121.111 0.482 . . . . 0.0 110.147 178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -87.83 2.25 6.59 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 122.575 2.184 . . . . 0.0 110.547 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -55.11 -33.3 62.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.945 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 p -62.59 -42.7 99.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.314 0.578 . . . . 0.0 110.714 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.86 -38.71 79.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -63.83 -46.04 86.88 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.454 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 14' ' ' VAL . 42.8 mt-10 -73.42 -26.26 60.88 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.282 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.34 90.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.7 t -60.36 -43.44 96.54 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.212 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.63 -40.47 76.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.935 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 10' ' ' GLU . 79.2 t -63.4 -38.09 81.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -59.14 -44.0 92.04 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.289 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 86.4 m -65.54 -33.8 76.76 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 HE21 ' HA ' ' A' ' 14' ' ' VAL . 50.1 mt-30 -67.27 -34.98 78.56 Favored 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.778 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.47 -42.4 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.47 6.1 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -71.86 -55.93 6.66 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 55.88 85.58 0.07 Allowed 'General case' 0 C--O 1.248 0.987 0 C-N-CA 124.741 1.217 . . . . 0.0 112.323 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . 175.73 143.38 4.59 Favored Glycine 0 N--CA 1.43 -1.76 0 N-CA-C 110.101 -1.2 . . . . 0.0 110.101 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.9 t -56.69 -46.82 83.08 Favored 'Isoleucine or valine' 0 C--O 1.251 1.135 0 C-N-CA 123.288 0.635 . . . . 0.0 111.902 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.92 -45.84 87.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.217 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 20' ' ' GLU . 50.6 mtt180 -70.82 -20.83 62.52 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 22' ' ' GLY . 99.2 mt-30 -67.02 -43.98 81.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 170.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 30' ' ' GLN . 61.2 ttp180 -69.04 -37.41 78.57 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.503 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.3 mmm180 -53.61 -60.21 3.61 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.129 174.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.77 -22.98 65.17 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 24.1 tt0 -61.42 -41.29 96.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 10.5 mm100 -86.9 -52.42 5.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.291 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 93.3 t -59.74 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 123.381 0.672 . . . . 0.0 112.645 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -67.9 -23.79 65.14 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.745 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.86 -44.77 65.69 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 92.6 mttt -60.96 -44.53 97.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.77 177.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.585 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 79.0 mtp180 -60.41 -41.64 94.33 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.931 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 3.4 tm? -62.06 -45.48 93.35 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.252 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -73.8 -22.53 59.78 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.288 -178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' A' ' 36' ' ' ARG . 46.9 mt-10 -60.87 -46.7 89.57 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 174.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 23.1 mtp-105 -57.3 -50.62 72.35 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.392 -1.276 . . . . 0.0 109.933 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 37' ' ' LEU . 7.5 mm-40 -58.07 -43.0 86.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.018 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.99 -13.54 82.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.952 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -94.58 -20.62 19.45 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 51.8 mtm180 -95.09 118.72 32.37 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.484 -177.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -96.48 25.89 4.76 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.994 0.902 . . . . 0.0 108.671 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -146.98 151.52 13.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 177.316 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.435 -1.947 0 N-CA-C 109.218 -1.108 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -101.6 176.38 5.25 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.76 -68.18 3.1 Favored Glycine 0 C--N 1.304 -1.198 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m -118.99 97.14 50.66 Favored Pre-proline 0 N--CA 1.429 -1.522 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 175.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HG3' HH22 ' A' ' 44' ' ' ARG . 79.5 Cg_endo -83.55 -22.3 3.87 Favored 'Trans proline' 0 N--CA 1.444 -1.422 0 C-N-CA 121.931 1.754 . . . . 0.0 112.216 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' NH1' HD12 ' A' ' 37' ' ' LEU . 35.3 mmt180 -68.69 -33.61 74.24 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -73.02 -28.31 62.28 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -69.74 -45.08 68.93 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -39.23 91.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.535 176.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 33.9 tt0 -65.05 -42.77 93.95 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.83 -33.13 75.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.787 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -63.78 -39.45 94.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' ' HA ' ' A' ' 30' ' ' GLN . 39.8 mtp180 -65.41 -51.42 60.44 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.079 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.61 -33.52 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.737 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -59.18 -48.45 81.57 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.996 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.3 m -66.08 -30.26 70.74 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -31.61 72.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 177.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.8 -58.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.95 87.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -173.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -85.37 -37.89 19.36 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 62.64 99.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.02 1.328 . . . . 0.0 111.912 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.68 145.84 4.21 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.66 -43.51 90.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 122.637 0.375 . . . . 0.0 110.981 -177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.62 -45.77 81.82 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.391 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.98 -45.26 93.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.445 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -61.71 -40.38 94.83 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.276 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -61.89 -47.44 84.98 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 66.4 m -63.84 -30.92 71.96 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.686 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.5 tt0 -57.98 -43.49 86.56 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -69.8 -52.15 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 123.482 0.489 . . . . 0.0 109.725 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -58.81 -49.52 82.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.741 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.4 m -69.65 -27.17 64.82 Favored 'General case' 0 C--N 1.316 -0.867 0 O-C-N 122.285 -0.259 . . . . 0.0 111.103 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 30' ' ' GLN . 30.6 tt0 -74.04 -38.98 63.85 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -63.06 -45.87 90.16 Favored 'General case' 0 C--O 1.204 -1.341 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.867 176.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -53.18 -48.42 68.06 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.893 0.477 . . . . 0.0 110.909 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' NH1' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -68.45 -40.54 81.07 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.753 -177.133 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.49 -36.78 76.83 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 46.1 mt-10 -69.36 -29.13 66.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 73.2 ttt180 -66.97 -38.59 86.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 43.8 mt-10 -67.63 -32.13 72.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.405 174.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.45 -24.14 76.77 Favored Glycine 0 C--O 1.222 -0.651 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.758 177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 30.4 mmm180 -79.21 -26.66 42.53 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.451 HH22 ' HG3' ' A' ' 5' ' ' PRO . 99.9 mtt180 -66.17 149.48 50.24 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.585 176.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -102.86 101.02 11.04 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 m -73.66 130.09 36.0 Favored 'Isoleucine or valine' 0 C--O 1.249 1.056 0 CA-C-O 121.212 0.529 . . . . 0.0 111.03 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--N 1.296 -1.722 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.805 -176.844 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 N--CA 1.45 -1.036 0 N-CA-C 108.331 -1.45 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -130.95 168.01 18.06 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.41 -148.96 9.07 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -58.47 110.06 2.31 Favored Pre-proline 0 N--CA 1.444 -0.737 0 O-C-N 124.441 0.73 . . . . 0.0 110.279 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.56 -4.72 13.08 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.146 2.564 . . . . 0.0 112.534 -174.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -62.45 -19.91 63.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.611 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -60.39 -32.38 71.26 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 177.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -71.75 -46.14 59.47 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.952 0.882 . . . . 0.0 108.868 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -61.45 -49.66 75.91 Favored 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 125.836 1.654 . . . . 0.0 111.896 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.15 -42.3 80.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.337 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.06 79.31 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t -60.3 -39.65 87.71 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.896 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -71.92 -38.71 69.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.81 -45.6 80.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -52.22 -54.62 28.74 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.191 0.997 . . . . 0.0 110.777 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 94.8 m -70.35 -25.36 63.24 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.95 -38.22 72.84 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.395 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.63 -48.66 20.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.725 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.69 -56.04 4.72 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 12.0 mm-40 -72.62 -39.16 67.48 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.5 t60 70.18 103.1 0.06 Allowed 'General case' 0 C--O 1.239 0.51 0 C-N-CA 124.884 1.274 . . . . 0.0 110.959 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.1 149.91 5.4 Favored Glycine 0 N--CA 1.423 -2.208 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.119 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 49.7 t -70.27 -42.33 78.83 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.911 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.64 -32.75 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.259 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -68.05 -39.41 83.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -63.99 -44.54 92.36 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.79 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 79.5 mtp180 -62.22 -34.95 77.45 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.809 0.444 . . . . 0.0 111.507 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 28' ' ' ARG . 24.1 ttt180 -62.72 -47.66 82.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.595 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.5 m -69.47 -34.36 74.25 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.972 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -58.18 -49.49 76.86 Favored 'General case' 0 C--O 1.204 -1.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.111 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -56.05 -49.0 74.96 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.807 0.692 . . . . 0.0 110.985 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.15 -45.58 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.277 0.561 . . . . 0.0 111.173 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.7 m -77.53 -17.54 57.84 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.37 -32.66 60.91 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -66.48 -41.49 88.9 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -63.21 -44.25 95.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.223 175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.73 -42.93 98.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.476 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -61.85 -37.22 83.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 122.934 0.494 . . . . 0.0 110.112 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 14.2 mm-40 -71.33 -48.6 49.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.591 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -59.56 -56.2 24.91 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.2 -19.9 63.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.688 0.395 . . . . 0.0 111.329 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.23 -34.31 51.7 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 20.1 mmt180 -95.19 -25.76 16.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.377 0.608 . . . . 0.0 109.438 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' HG2' ' HG2' ' A' ' 45' ' ' GLU . 36.4 ttt180 -81.92 126.09 31.51 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.417 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 44' ' ' ARG . 23.7 mm-40 56.33 44.15 25.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.935 0.894 . . . . 0.0 110.933 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.7 p -88.67 138.56 18.94 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--N 1.302 -1.469 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.299 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.434 -1.978 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -111.78 171.36 7.54 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.22 -176.02 44.94 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 175.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.568 ' O ' HG22 ' A' ' 7' ' ' THR . 13.6 m -78.09 159.74 75.03 Favored Pre-proline 0 C--N 1.297 -1.69 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.27 -23.6 18.57 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 123.037 2.491 . . . . 0.0 112.765 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -55.53 -41.26 72.94 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.533 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 4' ' ' SER . 5.9 t -64.51 -26.64 68.52 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.83 -54.24 14.46 Favored 'General case' 0 C--O 1.243 0.72 0 O-C-N 123.12 0.263 . . . . 0.0 110.931 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.571 ' CD1' ' HG ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -74.01 -29.24 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.866 -0.733 . . . . 0.0 110.681 -176.029 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.88 -36.53 80.4 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.98 70.06 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.209 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 15.6 t -62.0 -43.52 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.09 175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.92 -47.41 85.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.871 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.97 -42.67 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.862 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -59.74 -50.24 74.62 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.653 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 98.0 m -65.24 -35.86 82.34 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -75.18 -20.45 59.31 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 119.171 -1.012 . . . . 0.0 111.399 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -93.96 -57.67 4.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.976 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -48.44 48.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' ARG . 8.5 mm-40 -80.64 -52.06 8.0 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.2 t60 55.97 92.34 0.03 OUTLIER 'General case' 0 C--O 1.241 0.61 0 C-N-CA 125.62 1.568 . . . . 0.0 111.434 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.55 149.88 6.14 Favored Glycine 0 N--CA 1.432 -1.611 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.5 t -67.07 -51.13 57.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.049 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 1.3 mp0 -55.91 -40.32 72.89 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.008 0.923 . . . . 0.0 109.351 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 20' ' ' GLU . 98.6 mtt180 -70.66 -35.12 72.69 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.071 -176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.93 -32.42 63.51 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.04 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -61.97 -41.49 98.06 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.68 -51.74 68.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.946 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.24 -30.44 71.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG3' ' OE1' ' A' ' 34' ' ' GLU . 33.7 tt0 -63.2 -42.63 99.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.282 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.44 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 49.0 tt0 -63.99 -33.92 76.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.04 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 36' ' ' ARG . 55.8 t -81.54 -62.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.149 -178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . 0.27 88.4 m -74.02 -41.39 61.91 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -170.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' OE1' ' HG3' ' A' ' 30' ' ' GLN . 1.5 mp0 -63.58 -36.27 83.23 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.969 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 28.5 ttpp -71.27 -37.23 71.9 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.915 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 32' ' ' VAL . 78.0 mtp180 -59.24 -46.68 87.84 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 174.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' A' ' 9' ' ' TYR . 3.1 tm? -64.43 -36.35 83.87 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.16 0.505 . . . . 0.0 109.817 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.93 -40.84 96.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.973 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 15.7 mm-40 -79.84 -32.91 40.56 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HG3' HG12 ' A' ' 46' ' ' VAL . 24.7 tpt180 -50.4 -52.87 33.69 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 125.506 1.522 . . . . 0.0 109.698 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.41 -32.15 22.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.64 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.84 -35.72 91.23 Favored Glycine 0 N--CA 1.461 0.339 0 CA-C-N 116.615 -0.266 . . . . 0.0 113.51 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.0 mtp-105 -92.93 -15.78 25.91 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 59.16 80.39 0.19 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.914 1.286 . . . . 0.0 111.455 -174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -132.0 29.14 4.42 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG12 ' HG3' ' A' ' 40' ' ' ARG . 30.4 m -93.42 151.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 113.893 -1.503 . . . . 0.0 111.25 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--N 1.3 -1.586 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 176.563 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.446 -1.305 0 N-CA-C 108.284 -1.468 . . . . 0.0 108.284 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.34 171.36 14.39 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.34 169.87 27.41 Favored Glycine 0 N--CA 1.434 -1.461 0 N-CA-C 108.164 -1.974 . . . . 0.0 108.164 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.3 p -84.66 117.14 68.06 Favored Pre-proline 0 C--N 1.3 -1.568 0 CA-C-N 118.31 1.055 . . . . 0.0 111.138 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.09 -43.32 54.65 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.687 2.258 . . . . 0.0 111.455 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 6.7 ptp180 -53.87 -40.69 66.77 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.139 -0.937 . . . . 0.0 113.164 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -75.59 -35.81 60.48 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.449 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -65.67 -45.26 83.57 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -62.4 -46.99 86.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.307 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 14' ' ' VAL . 39.7 tt0 -57.5 -46.19 84.05 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.136 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.73 -37.1 78.01 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.843 0.457 . . . . 0.0 111.49 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.87 -38.53 86.5 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 43.8 mtp180 -68.68 -46.35 69.29 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.037 177.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 10' ' ' GLU . 91.2 t -57.75 -37.49 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 123.121 0.568 . . . . 0.0 110.569 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -54.4 -52.94 60.14 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -67.96 -28.64 67.63 Favored 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.578 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 55.5 mt-30 -67.29 -25.82 66.23 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.727 0.299 . . . . 0.0 111.509 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.51 -48.64 11.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.884 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -55.23 11.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.764 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' OE1' ' HD2' ' A' ' 25' ' ' ARG . 28.2 mm-40 -79.08 -52.01 8.78 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 71.42 -41.76 0.51 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.485 1.914 . . . . 0.0 113.203 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.36 134.29 52.45 Favored Glycine 0 N--CA 1.444 -0.824 0 O-C-N 123.211 0.319 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.22 -42.02 54.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 124.222 1.009 . . . . 0.0 112.415 -177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.71 -50.23 73.9 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.057 0.456 . . . . 0.0 111.101 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' OE1' ' A' ' 20' ' ' GLU . 80.8 mtm180 -73.18 -27.25 61.53 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.842 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -63.49 -50.02 71.3 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 174.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -63.85 -34.62 78.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.945 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -61.07 -51.04 70.85 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.98 -26.08 68.67 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.864 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -56.39 -47.88 78.05 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.83 -38.22 38.66 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -59.87 -49.69 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.136 0.493 . . . . 0.0 109.961 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.8 m -69.98 -29.31 66.38 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 42.0 tt0 -68.42 -45.19 73.28 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 24.5 ttmm -63.64 -40.81 97.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.188 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.36 -37.18 79.88 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.006 0.432 . . . . 0.0 110.143 175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.32 -42.31 72.13 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 33.4 mmt180 -61.52 -36.82 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 111.306 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 10.5 mm-40 -71.41 -36.2 71.26 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.116 0.484 . . . . 0.0 110.192 177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -68.68 -47.88 65.37 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.9 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 38' ' ' ARG . 8.3 pt-20 -67.52 -37.07 82.22 Favored 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.464 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.64 73.86 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -71.07 -29.17 64.98 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 122.847 0.459 . . . . 0.0 110.274 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -92.71 -57.24 2.72 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.13 0.49 . . . . 0.0 109.947 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -96.81 102.44 14.22 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.7 m -83.26 153.2 3.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.904 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.304 -1.378 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 -178.316 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.442 -1.535 0 N-CA-C 107.946 -1.598 . . . . 0.0 107.946 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -71.24 119.51 15.48 Favored 'General case' 0 C--N 1.311 -1.101 0 O-C-N 123.681 0.613 . . . . 0.0 109.629 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.52 -76.07 2.28 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 7' ' ' THR . 62.7 p -176.88 164.92 1.52 Allowed Pre-proline 0 C--N 1.309 -1.175 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.39 -34.38 44.03 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 121.495 1.463 . . . . 0.0 109.872 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.2 -42.23 76.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.308 -1.314 . . . . 0.0 112.874 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 4' ' ' SER . 12.3 t -56.69 -36.42 69.6 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.58 -54.12 15.59 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.284 0.564 . . . . 0.0 109.724 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -62.34 -48.92 77.68 Favored 'General case' 0 N--CA 1.426 -1.662 0 CA-C-N 114.962 -1.017 . . . . 0.0 112.539 -175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.16 -47.72 84.88 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -38.26 90.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.524 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -57.76 -40.68 80.3 Favored 'General case' 0 C--O 1.249 1.046 0 C-N-CA 123.363 0.665 . . . . 0.0 110.965 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.94 -46.99 79.28 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -39.35 83.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.48 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -55.04 -55.27 32.86 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.166 0.586 . . . . 0.0 110.701 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.9 m -72.35 -21.85 61.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.2 -39.19 89.49 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.16 -37.16 12.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.612 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -56.69 4.47 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -74.92 -47.27 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.732 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.7 t60 71.96 -50.16 0.69 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 124.778 1.231 . . . . 0.0 112.302 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.37 133.07 25.69 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.43 -39.69 70.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -173.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.28 -50.64 72.88 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -74.15 -32.13 63.01 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -68.14 -40.21 82.49 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -62.76 -34.05 76.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.51 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -66.49 -50.74 62.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.78 -49.32 68.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -60.67 -30.09 69.7 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.27 -38.93 71.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.68 -40.35 87.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 69.5 m -58.74 -47.12 85.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.162 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -76.31 -26.41 55.79 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.681 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 18.5 tppt? -62.45 -52.47 63.41 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -65.84 -30.57 71.21 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.104 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 3.3 tm? -66.44 -42.73 87.2 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.876 179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -64.82 -35.38 80.91 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 40.8 mt-10 -64.48 -49.01 73.04 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -54.82 -43.43 72.95 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.445 1.098 . . . . 0.0 111.021 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 31.6 mt-10 -63.67 -39.39 94.21 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.21 -16.26 76.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.057 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 96.5 mtt180 -85.25 -29.09 24.91 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -78.76 -48.84 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -108.35 93.38 4.49 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.83 -31.43 4.49 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.837 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.31 -1.116 0 O-C-N 122.174 -0.329 . . . . 0.0 110.442 -178.128 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.447 -1.255 0 N-CA-C 108.82 -1.261 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -96.97 175.26 6.4 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.02 -19.11 79.8 Favored Glycine 0 C--O 1.243 0.695 0 CA-C-O 119.803 -0.443 . . . . 0.0 113.633 -176.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.0 m -52.88 120.51 19.39 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.91 -24.0 46.65 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.673 2.915 . . . . 0.0 114.649 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 66.54 -59.37 0.35 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.07 1.348 . . . . 0.0 113.137 -175.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t -50.55 -41.45 54.09 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 123.838 0.855 . . . . 0.0 112.458 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -56.77 -49.78 74.27 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.73 0.776 . . . . 0.0 111.67 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -73.57 -49.84 24.32 Favored 'General case' 0 N--CA 1.417 -2.077 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.247 -175.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -59.79 -53.03 62.65 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.421 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.95 85.14 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.4 t -57.21 -46.97 82.42 Favored 'General case' 0 C--O 1.273 2.29 0 CA-C-O 121.339 0.59 . . . . 0.0 110.737 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -65.28 -48.77 72.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.332 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -58.35 -41.24 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.005 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -52.78 -53.1 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.263 0.625 . . . . 0.0 110.593 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 20' ' ' GLU . 85.3 m -75.79 -27.39 57.98 Favored 'General case' 0 C--N 1.306 -1.326 0 C-N-CA 119.302 -0.959 . . . . 0.0 113.231 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.35 -31.07 70.19 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.713 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -96.82 -50.44 11.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.919 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.44 -43.95 46.94 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -174.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 10.1 mm-40 -83.48 -57.03 3.41 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 59.01 92.91 0.04 OUTLIER 'General case' 0 C--O 1.241 0.643 0 C-N-CA 125.518 1.527 . . . . 0.0 112.094 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.04 152.92 8.51 Favored Glycine 0 C--N 1.306 -1.124 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.94 -49.47 83.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-N 117.716 0.758 . . . . 0.0 111.284 -176.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.73 -42.76 99.82 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.202 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -64.75 -44.42 90.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.756 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.35 -53.41 55.48 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -67.52 -31.21 71.16 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -66.74 -50.5 62.55 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.1 m -65.47 -43.87 88.94 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.73 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.79 -37.77 71.59 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 122.911 0.485 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.28 -43.08 99.47 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 123.612 0.57 . . . . 0.0 110.178 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.48 -43.4 87.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.931 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 m -57.54 -44.2 85.0 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.874 0.47 . . . . 0.0 110.099 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 12.7 tp10 -58.89 -48.09 82.65 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.491 178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 34.2 ttpt -61.73 -49.78 75.07 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.035 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.488 HH21 ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -55.22 -40.54 70.94 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.558 0.743 . . . . 0.0 111.671 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.23 -39.31 75.16 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 28.8 mmm180 -67.51 -31.71 72.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.964 0.411 . . . . 0.0 110.626 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 44.6 mt-10 -65.04 -35.48 81.3 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 36' ' ' ARG . 36.8 mmt180 -68.6 -30.87 69.71 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -69.41 -41.08 76.86 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.77 -53.35 4.63 Favored Glycine 0 N--CA 1.434 -1.465 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.378 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -66.82 -37.76 85.13 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.934 0.397 . . . . 0.0 111.115 -176.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 99.2 mtt180 -99.86 108.99 21.39 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.192 0.52 . . . . 0.0 110.26 -178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -85.77 100.6 12.14 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.68 70.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-O 121.812 0.815 . . . . 0.0 110.37 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--N 1.297 -1.682 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.598 176.521 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo . . . . . 0 N--CA 1.44 -1.666 0 N-CA-C 108.498 -1.385 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -88.91 95.82 10.46 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.77 12.12 1.48 Allowed Glycine 0 C--N 1.295 -1.741 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.2 m -85.75 148.22 48.12 Favored Pre-proline 0 N--CA 1.419 -2.018 0 CA-C-N 114.308 -0.946 . . . . 0.0 108.997 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -48.12 -51.29 10.27 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.941 3.094 . . . . 0.0 115.544 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.7 -34.55 64.9 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 122.104 -0.372 . . . . 0.0 111.552 -172.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -75.96 -31.91 59.26 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.444 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.0 -46.38 81.63 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.68 77.04 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.803 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 13' ' ' ARG . 7.1 tp10 -74.68 -42.99 57.44 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.418 0.628 . . . . 0.0 109.76 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.4 70.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.97 -34.62 73.54 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 123.49 0.716 . . . . 0.0 109.627 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 10' ' ' GLU . 76.6 mtp180 -75.59 -41.92 53.32 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.788 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.32 -39.39 84.01 Favored 'Isoleucine or valine' 0 C--O 1.245 0.851 0 CA-C-O 121.721 0.772 . . . . 0.0 109.704 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -56.22 -46.61 79.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.698 -1.137 . . . . 0.0 109.248 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.32 -26.16 65.48 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.51 -42.83 99.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.11 -36.55 9.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.61 -60.41 2.19 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.07 -48.48 70.86 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 62.61 99.18 0.03 OUTLIER 'General case' 0 C--O 1.249 1.055 0 O-C-N 124.826 1.329 . . . . 0.0 110.24 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.69 134.71 1.83 Allowed Glycine 0 N--CA 1.423 -2.173 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 41.4 t -63.77 -50.1 79.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -176.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.61 -24.29 62.72 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-O 121.001 0.429 . . . . 0.0 110.046 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.37 -35.75 63.53 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.12 0.486 . . . . 0.0 109.928 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.14 -42.17 84.85 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 49.6 mtp180 -66.86 -32.7 74.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.439 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -61.12 -44.79 96.79 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.04 -31.96 73.15 Favored 'General case' 0 C--O 1.201 -1.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.841 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -59.26 -50.96 72.01 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 7.3 tt0 -57.28 -54.28 48.62 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.7 0.625 . . . . 0.0 110.558 177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.65 -52.49 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.522 -177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.43 -28.24 67.72 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 122.341 -0.224 . . . . 0.0 110.512 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.9 -43.41 83.44 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 31' ' ' GLN . 56.1 mtpt -66.43 -43.26 86.13 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.492 178.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -61.01 -44.06 97.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.934 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.35 -40.28 85.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -59.24 -42.96 92.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.815 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.71 -34.9 65.02 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.002 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -61.88 -42.87 99.58 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.11 -38.41 44.06 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.714 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.67 -35.14 66.95 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 114.773 0.669 . . . . 0.0 114.773 -173.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.65 -19.04 60.44 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 117.716 0.758 . . . . 0.0 110.97 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -93.63 -42.97 8.9 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.74 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.23 97.01 6.22 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.99 136.48 60.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -174.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--N 1.297 -1.713 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 175.007 . . . . . . . . 0 0 . 1 stop_ save_