data_5jhi_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5jhi _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 2.2 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.407 0.622 . . . . 54.520000000000003 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 67.9 mttm -122.97 95.16 4.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.17 -0.923 . . . . 72.230000000000004 108.554 174.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -114.06 174.26 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.703 -0.48 . . . . 62.030000000000001 109.703 -171.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 6.2 ptp85 -150.12 152.72 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 75.510000000000005 112.008 -177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.04 161.48 33.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.362 -0.836 . . . . 74.420000000000002 110.073 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -113.54 112.76 24.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.203 -0.665 . . . . 70.299999999999997 109.203 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -113.55 145.12 41.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.387 -0.824 . . . . 75.150000000000006 110.266 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -114.07 131.15 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.172 -0.306 . . . . 71.219999999999999 110.172 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.53 -158.74 30.57 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.624 -0.59 . . . . 72.120000000000005 111.624 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -79.62 152.58 29.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.251 -0.277 . . . . 65.329999999999998 110.251 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.7 mt-10 -48.43 -50.43 31.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.85 0.46 . . . . 74.120000000000005 110.841 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.35 -44.56 92.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 74.200000000000003 110.815 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.19 -37.34 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.639 . . . . 74.430000000000007 110.452 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -65.6 -42.21 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 74.129999999999995 110.167 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 24.6 mmm180 -67.74 -35.91 79.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 74.140000000000001 110.348 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 3.5 tppp? -71.94 -40.34 68.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.787 -0.642 . . . . 71.230000000000004 109.602 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -59.23 -44.49 92.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.444 -0.798 . . . . 72.140000000000001 109.534 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.12 46.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.282 -0.872 . . . . 65.510000000000005 111.662 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.0 pt-20 -62.84 -44.2 96.76 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.486 -0.325 . . . . 65.299999999999997 110.738 -176.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.1 -52.24 66.35 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.502 -0.317 . . . . 75.219999999999999 110.643 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 29' ' ' VAL . 4.1 mt -57.91 -44.0 86.56 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.229 -0.441 . . . . 73.120000000000005 111.206 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -69.27 -35.66 76.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 74.129999999999995 111.459 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -82.17 -31.11 30.62 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.776 0.322 . . . . 63.009999999999998 110.697 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -68.67 -47.57 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.205 0.526 . . . . 75.140000000000001 110.134 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -95.2 133.87 38.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.481 -0.781 . . . . 73.420000000000002 109.873 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.04 56.74 3.15 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.162 -0.542 . . . . 32.5 111.839 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 93.6 m -154.0 -169.73 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.175 -0.676 . . . . 55.009999999999998 109.175 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.538 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 36.8 tt0 -113.77 126.75 55.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.565 -0.531 . . . . 62.530000000000001 109.565 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.626 HG11 HD11 ' A' ' 21' ' ' LEU . 60.6 t -125.85 137.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.989 -0.55 . . . . 72.219999999999999 109.832 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 33.2 tt0 -113.75 143.8 44.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.812 -0.81 . . . . 74.040000000000006 108.812 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.61 146.3 29.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.26 0.552 . . . . 74.530000000000001 110.501 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -112.8 139.88 48.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.6 -1.259 . . . . 73.049999999999997 107.6 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -113.5 113.94 25.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.986 0.422 . . . . 35.109999999999999 110.864 -170.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.03 156.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.734 . . . . 63.310000000000002 109.167 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.601 -0.714 . . . . 70.409999999999997 109.962 -179.044 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.05 0.452 . . . . 72.450000000000003 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 65.6 mttp -108.07 133.36 52.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.26 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -137.53 163.81 30.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.258 -0.428 . . . . 74.430000000000007 109.976 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.765 ' HG2' ' HB2' ' A' ' 30' ' ' GLU . 55.1 mtp85 -146.22 133.44 20.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.846 0.355 . . . . 71.439999999999998 110.588 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -114.91 -179.96 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 63.100000000000001 109.575 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -131.79 153.07 50.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.868 0.366 . . . . 74.120000000000005 110.731 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.23 140.2 23.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 64.340000000000003 109.385 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -113.84 133.34 55.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.895 0.379 . . . . 75.430000000000007 110.758 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.78 -137.44 5.08 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.324 -0.71 . . . . 63.32 111.324 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -96.31 152.04 18.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.164 -0.31 . . . . 74.409999999999997 110.164 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -49.81 -44.92 49.5 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.417 -0.356 . . . . 71.049999999999997 111.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.74 -50.85 67.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.057 -0.52 . . . . 71.099999999999994 110.189 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.11 -43.72 91.94 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.642 -0.708 . . . . 73.329999999999998 110.461 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.24 -48.25 82.31 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.871 -0.604 . . . . 75.329999999999998 110.87 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -67.62 -42.34 82.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 74.310000000000002 111.611 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -67.49 -38.86 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.944 -0.302 . . . . 72.310000000000002 110.836 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.7 -42.88 97.92 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.315 -0.624 . . . . 73.140000000000001 109.315 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.55 88.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.773 -0.648 . . . . 74.329999999999998 110.956 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.85 -51.61 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.757 -0.656 . . . . 74.219999999999999 110.772 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.8 -44.38 90.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 71.109999999999999 110.83 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 tp -64.85 -38.31 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.308 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.3 t -64.04 -45.94 86.64 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.767 -0.651 . . . . 75.349999999999994 110.886 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.09 -25.65 52.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.049 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -75.91 -48.53 20.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 72.519999999999996 111.39 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -77.64 136.6 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 62.200000000000003 111.451 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -79.28 60.83 4.23 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 111.829 -0.508 . . . . 72.439999999999998 111.829 176.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 18.0 m -169.16 -164.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.308 0.643 . . . . 64.540000000000006 109.734 -177.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.5 tp10 -113.6 99.89 8.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.351 -0.981 . . . . 73.109999999999999 108.351 173.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.04 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 75.019999999999996 110.592 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.765 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 38.6 mt-10 -118.17 -179.71 3.85 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.812 0.815 . . . . 74.209999999999994 110.798 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.7 154.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-N 114.035 -1.439 . . . . 71.120000000000005 109.858 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -113.13 149.63 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.131 -1.063 . . . . 65.439999999999998 108.131 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.6 t -113.48 126.59 55.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 74.010000000000005 110.684 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.31 -179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.929 -0.767 . . . . 65.409999999999997 108.929 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 110.116 -0.328 . . . . 72.540000000000006 110.116 177.375 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.19 -0.3 . . . . 72.409999999999997 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.9 tppt? -122.35 137.05 54.99 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.657 0.383 . . . . 71.200000000000003 109.997 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.911 -0.774 . . . . 74.109999999999999 108.911 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.594 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 75.6 mtp180 -113.96 127.94 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.796 0.331 . . . . 74.310000000000002 110.494 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -132.26 153.64 50.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.089 -0.505 . . . . 74.299999999999997 110.464 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -113.71 125.98 54.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.765 -0.828 . . . . 54.200000000000003 108.765 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 51.6 t80 -131.04 154.56 48.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.782 -0.644 . . . . 75.540000000000006 109.714 -168.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 5.5 ptm180 -113.82 129.39 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.599 -0.519 . . . . 63.229999999999997 109.599 174.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.06 167.95 28.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.582 -0.818 . . . . 70.420000000000002 112.937 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 12.8 m -62.22 158.94 15.88 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.464 0.306 . . . . 72.420000000000002 110.403 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.1 mt-10 -49.04 -46.66 44.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.962 0.411 . . . . 73.329999999999998 110.471 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 46.6 mt-10 -57.58 -49.76 75.34 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.631 -0.713 . . . . 74.340000000000003 111.013 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 33.0 mm-40 -56.86 -39.98 75.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.13 0.491 . . . . 73.310000000000002 110.126 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -63.81 -41.7 97.84 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.4 -0.818 . . . . 74.420000000000002 110.237 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 23.9 mmt180 -60.82 -53.43 57.39 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.238 0.542 . . . . 71.450000000000003 110.231 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 27.9 mtpp -57.97 -48.01 81.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.998 -1.001 . . . . 74.230000000000004 110.772 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.42 -45.57 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.921 -0.581 . . . . 73.150000000000006 110.473 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.2 71.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 64.420000000000002 110.949 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.32 -51.71 66.56 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.463 -0.335 . . . . 70.439999999999998 110.489 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -50.67 -49.74 56.49 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.047 -0.524 . . . . 72.329999999999998 111.176 -178.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 29' ' ' VAL . 28.1 tp -71.12 -37.62 72.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.228 -0.442 . . . . 64.0 110.709 -176.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -66.58 -37.71 85.5 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.44 -0.346 . . . . 70.129999999999995 110.704 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -81.99 -33.51 30.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.652 0.263 . . . . 74.420000000000002 110.575 178.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -64.33 -48.5 75.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.079 -0.51 . . . . 72.019999999999996 110.826 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.8 p -105.38 131.84 52.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 72.120000000000005 110.529 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.65 72.63 0.82 Allowed Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.985 -0.446 . . . . 23.510000000000002 111.985 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.8 m -155.64 -166.1 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.831 0.452 . . . . 70.340000000000003 109.892 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 10.8 tp10 -113.6 126.16 54.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.818 -1.179 . . . . 75.129999999999995 107.818 174.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG13 HD23 ' A' ' 21' ' ' LEU . 80.7 t -113.95 141.39 30.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.274 0.559 . . . . 75.439999999999998 110.9 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 23.5 tt0 -134.57 115.6 14.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.117 -0.947 . . . . 75.409999999999997 108.919 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.62 HG13 ' SG ' ' A' ' 33' ' ' CYS . 60.6 t -113.68 132.48 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 70.099999999999994 110.31 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.66 114.82 26.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.612 -1.255 . . . . 64.329999999999998 107.612 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' HG13 ' A' ' 31' ' ' VAL . 72.1 m -113.24 134.99 54.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 62.229999999999997 112.037 -165.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 30.6 mt-10 -131.7 -179.5 5.42 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.132 -0.94 . . . . 65.239999999999995 109.499 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.606 -0.712 . . . . 73.530000000000001 109.418 171.084 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.47 0.652 . . . . 74.409999999999997 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 62.9 tttp -129.01 130.3 46.46 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.104 -0.953 . . . . 63.409999999999997 109.497 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -138.33 147.85 43.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 9.6 ptm180 -113.82 141.56 47.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 72.099999999999994 110.12 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.482 ' HB2' HG23 ' A' ' 31' ' ' VAL . 1.3 mmp_? -132.85 164.81 26.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 73.519999999999996 109.576 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -131.91 119.11 20.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.192 -0.67 . . . . 74.329999999999998 109.192 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -117.87 152.53 35.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.307 -0.627 . . . . 74.439999999999998 109.307 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.27 144.58 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.228 -0.286 . . . . 64.530000000000001 110.228 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -64.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.064 -0.815 . . . . 64.030000000000001 111.064 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -169.46 143.76 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.204 -0.665 . . . . 75.409999999999997 109.204 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.525 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 35.2 mt-10 -50.01 -36.13 27.37 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.733 0.302 . . . . 75.420000000000002 111.309 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 43.1 tt0 -64.24 -60.33 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.179 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.2 -26.7 68.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.86 0.362 . . . . 74.150000000000006 110.353 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.39 -53.22 38.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.037 -0.529 . . . . 72.340000000000003 110.897 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.99 -35.05 79.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.693 -0.403 . . . . 74.140000000000001 110.402 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.1 mmmm -58.23 -55.26 37.33 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.429 -0.582 . . . . 65.400000000000006 109.429 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 t80 -49.26 -47.93 46.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.626 -0.715 . . . . 72.25 110.151 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 -63.36 1.33 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.661 -0.699 . . . . 72.329999999999998 112.085 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.93 -35.58 81.63 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.774 0.321 . . . . 73.099999999999994 111.194 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.707 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 48.6 mt-10 -70.85 -33.8 71.01 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.75 0.31 . . . . 63.240000000000002 110.399 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' HB3' HG13 ' A' ' 29' ' ' VAL . 4.6 tt -64.23 -41.91 96.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.829 -0.804 . . . . 65.109999999999999 108.829 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 t -70.51 -33.28 71.03 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.708 -0.678 . . . . 64.120000000000005 111.627 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.707 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.4 ptm180 -76.62 -31.92 57.72 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.923 -0.399 . . . . 72.439999999999998 109.923 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -67.93 -71.61 0.2 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.241 0.543 . . . . 75.230000000000004 110.283 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 m -91.63 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.63 -0.714 . . . . 72.049999999999997 110.15 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.11 73.86 0.38 Allowed Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.212 -0.518 . . . . 75.109999999999999 112.476 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -152.29 173.65 14.76 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.988 0.423 . . . . 65.230000000000004 110.566 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 35.3 tt0 -113.86 115.16 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.822 -0.807 . . . . 72.010000000000005 108.822 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG13 ' HB3' ' A' ' 21' ' ' LEU . 7.5 p -113.69 128.53 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 75.019999999999996 109.903 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 39.7 tt0 -113.62 112.68 23.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.739 -0.838 . . . . 74.040000000000006 108.739 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 5' ' ' ARG . 59.8 t -113.77 143.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.015 0.436 . . . . 70.049999999999997 110.86 -172.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.1 139.43 48.72 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.095 -1.076 . . . . 64.420000000000002 108.095 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 38.3 t -113.77 137.18 52.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.115 0.483 . . . . 62.32 112.017 -169.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.2 -179.87 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 73.329999999999998 108.612 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.803 -0.618 . . . . 74.239999999999995 110.025 176.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 49.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.851 0.358 . . . . 60.210000000000001 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -112.83 118.13 34.08 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.423 -0.584 . . . . 73.049999999999997 109.423 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -113.37 127.64 56.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 72.019999999999996 110.186 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -115.72 107.13 14.69 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.529 -1.286 . . . . 71.230000000000004 107.529 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.81 154.05 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.538 . . . . 65.540000000000006 111.812 -166.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -119.15 110.66 17.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.006 -0.997 . . . . 61.329999999999998 109.046 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -119.58 142.91 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.464 -0.939 . . . . 74.209999999999994 108.464 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -122.7 141.13 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 75.510000000000005 111.247 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.08 -89.08 0.14 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.132 -0.787 . . . . 63.229999999999997 111.132 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -152.95 149.45 28.24 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.401 -0.592 . . . . 70.030000000000001 109.401 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.95 -29.94 44.71 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.277 0.361 . . . . 71.209999999999994 110.566 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -55.71 -61.64 2.23 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.008 -0.542 . . . . 71.219999999999999 110.0 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.27 -44.36 75.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.682 -0.69 . . . . 73.040000000000006 110.937 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.2 m -66.03 -43.26 88.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.623 -0.717 . . . . 45.399999999999999 111.472 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -75.06 -27.16 59.88 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 122.491 -0.13 . . . . 62.240000000000002 110.951 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -65.76 -46.9 77.07 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.713 -0.477 . . . . 72.340000000000003 109.713 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -57.68 -48.19 80.23 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.581 -0.736 . . . . 70.310000000000002 109.977 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.36 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.747 -0.66 . . . . 44.549999999999997 111.258 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.88 -60.89 2.83 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.953 -0.567 . . . . 73.230000000000004 110.668 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.92 -43.62 81.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 63.539999999999999 111.175 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -62.67 -50.25 71.9 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.97 0.414 . . . . 72.420000000000002 110.417 -177.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -64.85 -38.31 90.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.951 -0.568 . . . . 72.140000000000001 111.308 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.14 -21.75 36.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.053 -0.259 . . . . 71.200000000000003 110.922 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -73.11 -53.05 12.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.99 0.424 . . . . 62.119999999999997 110.329 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.8 p -117.61 135.76 53.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 71.409999999999997 110.597 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.35 68.82 0.9 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.298 -0.477 . . . . 64.239999999999995 112.068 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 5.9 t -136.6 177.85 7.53 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.467 -0.568 . . . . 63.43 109.467 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -113.88 118.47 34.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 72.019999999999996 110.111 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.503 HG22 HD12 ' A' ' 21' ' ' LEU . 5.8 p -135.29 126.8 46.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 55.310000000000002 110.882 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.91 132.93 55.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.797 -0.816 . . . . 71.409999999999997 108.797 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.4 137.07 55.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.137 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.05 140.71 47.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.842 -0.799 . . . . 73.450000000000003 108.842 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.73 123.46 49.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.922 -167.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.73 160.04 19.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.011 -0.54 . . . . 53.329999999999998 109.669 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.483 -0.77 . . . . 61.140000000000001 109.955 179.036 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.566 0.222 . . . . 61.210000000000001 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -129.47 86.73 2.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.189 -1.041 . . . . 74.450000000000003 108.189 168.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 7.4 tt0 -141.29 153.34 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 75.209999999999994 110.497 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 86.5 mtt180 -126.03 164.79 20.07 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.019 0.437 . . . . 72.099999999999994 111.645 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -138.66 157.85 45.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.416 -0.811 . . . . 75.109999999999999 109.818 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -116.39 117.75 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.594 -0.521 . . . . 70.109999999999999 109.594 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HD1' ' SG ' ' A' ' 14' ' ' CYS . 73.6 t80 -113.89 145.03 42.06 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.531 . . . . 74.030000000000001 109.565 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.551 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -120.19 129.28 54.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.087 0.47 . . . . 72.430000000000007 110.419 -179.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.27 -118.86 0.88 Allowed Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 111.547 -0.621 . . . . 23.43 111.547 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -111.54 146.34 37.48 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.755 0.312 . . . . 63.409999999999997 110.901 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.53 -35.65 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.708 -0.678 . . . . 75.310000000000002 110.404 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.06 -56.65 16.03 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.934 -0.576 . . . . 75.129999999999995 110.615 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.43 -47.1 86.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.442 -0.799 . . . . 75.420000000000002 110.087 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' SG ' ' HD1' ' A' ' 7' ' ' TYR . 58.7 m -59.02 -50.21 74.95 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.542 -0.754 . . . . 54.439999999999998 111.419 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.38 -54.58 30.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.484 -0.325 . . . . 74.239999999999995 110.973 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.16 -41.67 88.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.397 -0.365 . . . . 72.400000000000006 111.271 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.41 -43.87 96.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 74.349999999999994 110.203 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.32 48.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.664 -0.698 . . . . 75.140000000000001 111.127 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 7.6 pt-20 -64.76 -44.09 91.21 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.558 -0.292 . . . . 75.299999999999997 111.292 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.5 mt-10 -56.97 -53.29 59.71 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.088 0.47 . . . . 64.430000000000007 110.369 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.35 -39.24 92.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 74.310000000000002 110.597 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -70.24 -34.49 72.92 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.059 -0.519 . . . . 65.439999999999998 111.299 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.43 -25.32 33.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.923 0.392 . . . . 65.510000000000005 110.455 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -70.37 -53.43 16.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.875 -0.602 . . . . 71.439999999999998 109.805 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -93.62 121.69 35.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.447 -0.797 . . . . 74.230000000000004 109.86 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.21 65.87 1.25 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.249 -0.5 . . . . 73.519999999999996 112.813 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -157.55 -167.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.319 -0.623 . . . . 74.109999999999999 109.319 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -113.34 99.82 8.08 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.808 0.813 . . . . 74.349999999999994 110.669 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.7 p -120.99 123.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.016 -0.993 . . . . 75.329999999999998 109.295 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 35.5 tt0 -114.14 148.34 37.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.957 -0.565 . . . . 71.319999999999993 110.052 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.28 141.73 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.428 -0.582 . . . . 74.420000000000002 109.428 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.38 147.41 37.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.66 -0.867 . . . . 70.209999999999994 108.66 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -113.66 126.36 55.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 65.409999999999997 111.753 -168.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -114.21 162.91 15.94 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.535 -0.757 . . . . 72.120000000000005 109.52 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.574 -0.726 . . . . 73.099999999999994 110.399 176.601 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.175 0.512 . . . . 62.030000000000001 110.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -121.07 121.29 37.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.451 -0.795 . . . . 75.439999999999998 109.672 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 95.3 mt-30 -126.21 147.91 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.619 -0.511 . . . . 72.150000000000006 109.619 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.9 ptm180 -133.73 130.68 38.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.153 -0.684 . . . . 73.439999999999998 109.153 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -129.04 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.358 0.599 . . . . 72.439999999999998 111.695 -170.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD3' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -134.52 122.73 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.269 -0.878 . . . . 61.439999999999998 109.242 -177.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 67.5 t80 -136.56 144.51 44.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.341 -0.615 . . . . 74.319999999999993 109.341 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 6.8 ppt_? -114.07 124.33 51.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.418 0.628 . . . . 74.230000000000004 110.91 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.99 -178.78 39.26 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.647 -0.981 . . . . 52.340000000000003 110.647 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -65.77 148.24 52.09 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.164 0.507 . . . . 60.140000000000001 111.192 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 48.3 mt-10 -55.6 -49.76 71.94 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 115.474 -0.785 . . . . 71.540000000000006 111.503 -175.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.17 -58.79 6.24 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.048 0.218 . . . . 75.040000000000006 111.3 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -59.27 -36.9 76.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.575 0.226 . . . . 63.539999999999999 110.598 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' TYR . 46.2 t -65.01 -42.32 94.57 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.963 0.411 . . . . 71.329999999999998 111.034 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.66 ' NH1' ' SG ' ' A' ' 33' ' ' CYS . 10.2 mpt_? -64.69 -47.72 77.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.355 . . . . 74.439999999999998 110.644 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.78 -27.92 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.119999999999997 110.309 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 80.3 t80 -63.62 -51.02 67.06 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.396 -0.594 . . . . 75.129999999999995 109.396 173.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.6 86.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.204 -0.453 . . . . 71.200000000000003 110.942 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.86 -61.22 2.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.641 -0.709 . . . . 62.43 110.461 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.83 -40.98 81.31 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 123.717 0.807 . . . . 75.420000000000002 111.13 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.12 -51.48 67.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.628 -0.714 . . . . 63.25 111.026 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.7 t -69.89 -33.94 72.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.121 -0.49 . . . . 62.119999999999997 111.406 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -79.52 -31.59 42.16 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 121.061 -0.256 . . . . 74.340000000000003 110.702 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -77.2 -55.62 5.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.865 0.364 . . . . 75.420000000000002 110.313 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -91.84 130.62 37.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 64.310000000000002 109.869 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 74.13 0.12 Allowed Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.321 -0.466 . . . . 64.340000000000003 112.638 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -155.33 171.26 20.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.815 -0.439 . . . . 72.049999999999997 109.815 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.61 126.21 55.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.402 -0.962 . . . . 65.439999999999998 108.402 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 9.6 p -126.93 135.08 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 74.400000000000006 111.767 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 36.8 tt0 -113.72 108.54 17.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.299 -1.0 . . . . 72.200000000000003 108.299 171.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -113.55 136.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.229 -0.656 . . . . 75.209999999999994 109.229 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.8 136.11 52.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.681 -0.859 . . . . 73.099999999999994 108.681 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' NH1' ' A' ' 15' ' ' ARG . 3.2 m -113.68 121.29 43.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.908 -0.587 . . . . 71.209999999999994 111.544 -164.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -113.82 173.57 6.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.551 -0.749 . . . . 71.230000000000004 109.403 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.011 -0.518 . . . . 74.099999999999994 110.722 -179.286 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.593 0.235 . . . . 74.200000000000003 110.553 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 97.2 mttt -123.24 146.54 47.76 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.107 -0.331 . . . . 75.010000000000005 110.107 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 36.2 tt0 -159.92 150.83 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 64.219999999999999 110.908 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -122.79 127.53 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.334 -0.617 . . . . 72.219999999999999 109.334 172.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -113.89 174.89 5.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.967 -0.753 . . . . 73.420000000000002 108.967 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -143.82 130.78 20.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.346 0.593 . . . . 75.420000000000002 111.011 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -113.9 154.69 27.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.674 -1.148 . . . . 72.109999999999999 108.376 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' HB2' ' A' ' 34' ' ' GLU . 36.2 mtm180 -113.55 121.96 45.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.023 0.374 . . . . 65.150000000000006 110.486 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 -155.81 26.64 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.775 -0.648 . . . . 65.219999999999999 111.483 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -69.53 137.83 52.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 110.03 -0.359 . . . . 61.109999999999999 110.03 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.755 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -49.71 -36.06 24.06 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 123.413 0.446 . . . . 72.140000000000001 111.147 -179.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 43.2 tt0 -61.15 -49.18 78.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.586 -0.734 . . . . 73.439999999999998 110.183 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.2 -42.85 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.101 -0.5 . . . . 72.299999999999997 110.385 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.79 -46.35 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 74.219999999999999 110.49 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 22.4 mmt180 -75.39 -26.23 58.29 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 111.591 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 97.3 mttt -60.58 -52.08 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.978 -0.749 . . . . 73.430000000000007 108.978 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.25 -43.0 87.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 75.25 110.432 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.87 39.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.114 -0.494 . . . . 75.209999999999994 111.345 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 73.1 mm-40 -56.42 -55.19 36.7 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.906 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.52 -53.92 50.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.483 -0.78 . . . . 74.340000000000003 110.996 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.6 -43.65 98.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.001 -0.545 . . . . 73.239999999999995 110.848 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -64.04 -38.96 92.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.47 . . . . 72.450000000000003 111.257 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -25.28 34.87 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.861 -0.336 . . . . 73.109999999999999 111.143 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -73.64 -45.33 53.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.753 0.311 . . . . 73.109999999999999 110.883 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.5 p -82.79 167.67 17.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 64.030000000000001 111.414 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.87 16.13 60.73 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.025 -0.83 . . . . 63.350000000000001 111.025 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.8 m -111.01 -179.86 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.766 0.427 . . . . 44.350000000000001 110.547 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 35.9 tt0 -113.63 99.49 7.77 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.766 -0.828 . . . . 63.43 108.766 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 6.1 p -126.75 127.58 70.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.021 -0.536 . . . . 71.510000000000005 110.643 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -116.68 160.28 20.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.213 -0.662 . . . . 64.150000000000006 109.213 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -123.03 150.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.029 0.443 . . . . 74.409999999999997 110.512 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -113.14 154.09 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.996 -1.113 . . . . 72.430000000000007 107.996 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 7.0 t -115.05 114.27 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.406 . . . . 61.310000000000002 110.845 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HB2' ' HG2' ' A' ' 8' ' ' ARG . 39.1 mm-40 -113.85 179.56 3.92 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.428 -0.805 . . . . 53.25 110.078 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.862 . . . . 62.210000000000001 109.083 172.557 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.78 0.324 . . . . 44.039999999999999 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.67 ' HZ2' ' HB2' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -140.39 139.26 35.26 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.569 -0.53 . . . . 74.319999999999993 109.569 177.271 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -129.58 155.01 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.194 -0.298 . . . . 74.310000000000002 110.194 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.604 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -136.15 119.44 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.84 -0.43 . . . . 72.510000000000005 109.84 171.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.01 175.43 5.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.821 -0.437 . . . . 74.010000000000005 109.821 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -137.06 154.25 50.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 75.439999999999998 110.748 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' HE1' ' HG3' ' A' ' 13' ' ' GLU . 37.8 t80 -140.77 162.16 36.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.878 -0.601 . . . . 74.329999999999998 110.675 -169.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -137.58 123.76 20.46 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.435 0.694 . . . . 71.540000000000006 109.326 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.48 0.21 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.074 -0.584 . . . . 54.340000000000003 112.584 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 p 179.8 158.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.665 0.386 . . . . 71.099999999999994 109.998 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 12' ' ' GLU . 5.6 pt-20 -54.08 -42.19 69.06 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.086 0.241 . . . . 65.340000000000003 111.644 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 9.2 tp10 -61.64 -58.84 6.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.568 0.223 . . . . 75.150000000000006 111.114 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 16.1 pt-20 -63.62 -26.45 68.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.037 -0.265 . . . . 75.109999999999999 110.624 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.93 -40.88 87.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.142 0.496 . . . . 53.130000000000003 109.937 171.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -65.03 -40.81 95.39 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 115.738 -0.665 . . . . 75.129999999999995 110.197 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 72.340000000000003 110.24 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.27 -47.47 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.531 -0.544 . . . . 75.209999999999994 109.531 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.27 -39.8 95.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.589 -0.732 . . . . 72.219999999999999 110.476 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.76 -60.52 3.57 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.764 -0.653 . . . . 74.409999999999997 110.254 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.9 mm-40 -57.32 -50.85 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.362 -0.835 . . . . 70.120000000000005 110.884 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 HG12 ' A' ' 29' ' ' VAL . 22.2 tp -58.1 -47.05 84.43 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.993 -0.548 . . . . 71.230000000000004 110.88 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -64.62 -48.01 76.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.787 -0.642 . . . . 73.109999999999999 110.892 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 8.8 ptm180 -72.99 -21.05 60.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.255 -0.43 . . . . 72.030000000000001 110.509 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -79.78 -46.52 16.83 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.238 -0.437 . . . . 74.200000000000003 110.436 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -88.36 162.15 16.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.23 0.538 . . . . 75.349999999999994 111.973 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.73 7.16 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.889 -0.884 . . . . 71.219999999999999 110.889 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.6 m -119.54 -167.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.469 . . . . 65.420000000000002 110.706 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp10 -113.29 120.79 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.175 -1.046 . . . . 65.230000000000004 108.175 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 HD23 ' A' ' 21' ' ' LEU . 95.3 t -114.17 138.66 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.372 0.606 . . . . 72.439999999999998 111.79 -172.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 9.2 tp10 -122.54 146.91 46.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.654 -1.239 . . . . 54.210000000000001 107.654 173.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 18' ' ' ALA . 5.4 p -144.74 145.81 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 71.019999999999996 111.181 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -113.54 130.98 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.131 -0.94 . . . . 74.420000000000002 108.473 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -113.88 135.54 53.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.24 0.459 . . . . 71.019999999999996 112.24 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -113.45 150.06 33.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.868 -1.16 . . . . 74.420000000000002 107.868 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.249 1.059 0 N-CA-C 109.199 -0.667 . . . . 63.43 109.199 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.469 0.652 . . . . 72.299999999999997 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.657 ' HB2' ' HZ1' ' A' ' 2' ' ' LYS . 10.5 mtmp? -99.31 117.19 33.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.381 -0.827 . . . . 72.209999999999994 109.151 169.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -113.93 158.95 20.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.519 0.199 . . . . 65.230000000000004 110.548 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.582 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 33.7 mtp-105 -133.91 119.96 19.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.238 -0.653 . . . . 73.200000000000003 109.238 172.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -120.44 152.61 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.188 -0.301 . . . . 73.150000000000006 110.188 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -113.67 136.0 53.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.78 -0.452 . . . . 75.420000000000002 109.78 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -133.19 146.85 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 73.219999999999999 109.331 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -113.66 119.85 38.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.858 -0.423 . . . . 75.109999999999999 109.858 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.81 36.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.069 -0.586 . . . . 40.329999999999998 112.348 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 p -91.6 175.39 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.237 0.542 . . . . 74.129999999999995 112.035 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.97 -51.76 9.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.811 -1.086 . . . . 74.129999999999995 112.709 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -36.97 82.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 110.211 -0.292 . . . . 74.219999999999999 110.211 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.32 -42.17 98.23 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 73.230000000000004 109.669 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.48 -44.75 96.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.404 -0.816 . . . . 71.140000000000001 110.565 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -61.35 -44.56 96.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.0 -0.545 . . . . 71.109999999999999 110.98 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.12 -60.5 3.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 110.664 178.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -55.18 -44.95 75.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 75.439999999999998 111.042 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 73.450000000000003 111.36 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.42 -45.54 87.1 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.397 -0.365 . . . . 75.510000000000005 110.637 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 68.9 mm-40 -59.45 -49.93 75.91 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.344 0.592 . . . . 62.439999999999998 109.85 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 HD21 HG21 ' A' ' 29' ' ' VAL . 27.0 tp -58.56 -34.76 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.255 -0.884 . . . . 65.319999999999993 110.562 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -69.07 -46.49 67.68 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.086 -0.507 . . . . 65.109999999999999 110.715 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -73.84 -18.79 60.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.981 0.42 . . . . 63.530000000000001 110.587 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -81.29 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 73.129999999999995 111.104 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -113.22 112.65 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.037 -0.528 . . . . 75.209999999999994 110.764 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.41 70.36 1.09 Allowed Glycine 0 C--N 1.332 0.342 0 CA-C-N 116.047 -0.524 . . . . 62.240000000000002 112.04 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 86.4 m -150.35 -162.04 1.47 Allowed 'General case' 0 C--O 1.241 0.607 0 C-N-CA 122.807 0.443 . . . . 73.439999999999998 109.996 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.2 tp10 -113.62 139.87 48.67 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.003 -0.74 . . . . 63.520000000000003 109.003 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 HD21 ' A' ' 21' ' ' LEU . 10.2 p -151.44 143.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.582 0.706 . . . . 71.239999999999995 111.881 -175.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 13.3 tp10 -113.35 134.52 54.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.849 -1.069 . . . . 75.239999999999995 108.232 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 139.44 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.721 -0.474 . . . . 74.129999999999995 109.721 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 143.6 44.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 63.450000000000003 109.425 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -115.22 116.58 28.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.659 0.266 . . . . 42.020000000000003 110.853 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.3 146.7 40.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.065 0.459 . . . . 64.230000000000004 110.725 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.321 -0.854 . . . . 74.140000000000001 109.038 178.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.451 0.167 . . . . 73.400000000000006 111.185 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -80.53 111.03 16.56 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.45 -0.574 . . . . 75.340000000000003 109.45 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.486 ' HB3' HG23 ' A' ' 29' ' ' VAL . 27.3 tt0 -132.29 149.03 52.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 73.129999999999995 110.643 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 32.0 mtp180 -129.53 134.89 48.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.788 -0.642 . . . . 75.219999999999999 109.793 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -129.95 140.15 50.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.967 -0.561 . . . . 74.519999999999996 109.529 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 11.7 ptp180 -113.68 133.92 55.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.303 -0.629 . . . . 71.0 109.303 177.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.9 t80 -130.38 164.86 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.714 -0.676 . . . . 75.040000000000006 110.023 -170.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -121.17 114.07 20.9 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.95 -0.389 . . . . 75.200000000000003 109.95 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.91 -173.02 37.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.898 -0.668 . . . . 73.329999999999998 112.245 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -82.78 168.9 16.73 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.447 0.299 . . . . 73.140000000000001 111.179 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 9.6 pt-20 -57.92 -25.04 60.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.466 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -56.81 -54.06 50.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.339 -0.615 . . . . 75.549999999999997 109.339 172.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.08 -46.28 90.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.456 -0.793 . . . . 73.129999999999995 110.122 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 6.2 m -56.43 -59.65 4.66 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.724 -0.671 . . . . 51.420000000000002 111.224 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -69.73 -36.81 76.19 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.682 -0.69 . . . . 64.310000000000002 111.506 -173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -67.9 -41.59 82.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.503 0.192 . . . . 73.25 110.669 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.23 -49.93 75.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 74.439999999999998 109.82 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.75 83.53 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.049 -0.523 . . . . 74.230000000000004 110.875 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.39 -54.74 43.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.822 -0.626 . . . . 65.340000000000003 111.216 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.3 -41.37 98.94 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.847 -0.615 . . . . 72.430000000000007 110.945 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 HD21 HG21 ' A' ' 29' ' ' VAL . 4.5 tt -62.14 -48.59 79.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 63.0 109.893 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -65.29 -36.88 85.44 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.029 -0.532 . . . . 53.229999999999997 111.466 -176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -79.24 -26.51 42.45 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.026 -0.269 . . . . 70.530000000000001 110.619 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -74.34 -52.68 11.48 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 71.209999999999994 110.239 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -120.65 124.93 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 73.329999999999998 110.543 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.3 79.39 0.91 Allowed Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.101 -0.5 . . . . 64.310000000000002 112.868 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 1' ' ' CYS . 94.4 m -136.89 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.581 0.352 . . . . 73.420000000000002 110.273 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 2' ' ' LYS . 10.8 pm0 -113.27 100.33 8.48 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.927 0.87 . . . . 75.140000000000001 109.142 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.486 HG23 ' HB3' ' A' ' 3' ' ' GLN . 41.0 t -113.85 139.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 72.120000000000005 110.567 -173.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 10.4 tp10 -113.77 135.62 53.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.677 -0.86 . . . . 74.409999999999997 108.677 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.93 120.01 62.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.587 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 7.9 pt-20 -113.45 114.99 27.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.143 -0.688 . . . . 71.319999999999993 109.143 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 5.1 p -114.43 142.71 46.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.11 0.481 . . . . 65.239999999999995 111.685 -173.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -113.56 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.112 -0.949 . . . . 74.519999999999996 108.632 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.964 -1.017 . . . . 75.319999999999993 110.159 179.353 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.119 0.485 . . . . 61.310000000000002 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 40.0 ttmt -142.33 144.83 33.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 74.040000000000006 110.237 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -152.81 165.33 35.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 72.099999999999994 109.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.604 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -126.58 145.18 50.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.247 0.546 . . . . 74.129999999999995 110.72 173.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -135.92 153.06 51.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.594 -0.891 . . . . 73.209999999999994 108.594 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 17.0 ptt180 -113.4 128.09 56.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.48 0.657 . . . . 71.340000000000003 109.983 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 66.8 t80 -113.76 167.98 10.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.773 -1.103 . . . . 62.130000000000003 109.193 -172.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 14.0 ptt180 -133.67 125.11 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.627 -0.509 . . . . 72.420000000000002 109.627 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.63 -164.38 32.09 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.93 -0.577 . . . . 63.409999999999997 112.153 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -88.64 173.45 8.61 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.738 0.304 . . . . 74.299999999999997 111.57 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -47.61 -49.97 25.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.82 -0.627 . . . . 72.409999999999997 110.944 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.82 -64.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.272 -0.876 . . . . 62.32 110.972 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -51.08 -47.31 61.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 75.349999999999994 111.115 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.67 -59.49 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.345 -0.843 . . . . 74.120000000000005 111.828 -175.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -70.24 -36.26 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 74.430000000000007 111.257 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 43.7 tttm -58.01 -51.42 69.74 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.93 0.395 . . . . 61.539999999999999 109.967 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.99 -43.13 77.36 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.644 -0.707 . . . . 75.209999999999994 110.367 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -60.45 3.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.911 -0.586 . . . . 65.340000000000003 111.907 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 8.2 pt-20 -61.26 -45.39 94.73 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.834 0.35 . . . . 74.519999999999996 111.341 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' CD ' ' HZ1' ' A' ' 16' ' ' LYS . 49.6 mt-10 -66.49 -44.25 83.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.288 -0.414 . . . . 61.439999999999998 110.671 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.3 tt -59.57 -45.81 90.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.312 -0.625 . . . . 63.299999999999997 109.312 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -55.48 -60.02 4.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.863 -0.608 . . . . 63.229999999999997 110.732 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' HB2' ' A' ' 19' ' ' GLU . 7.0 ptp180 -66.23 -38.06 87.0 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.317 -0.402 . . . . 70.109999999999999 111.495 -175.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -43.16 86.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.755 0.312 . . . . 71.450000000000003 110.823 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HG1' HD21 ' A' ' 21' ' ' LEU . 23.6 m -78.11 -21.86 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.026 0.441 . . . . 72.030000000000001 110.946 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.64 25.87 73.0 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.074 -0.811 . . . . 61.049999999999997 111.074 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.7 m -129.07 -171.79 2.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.094 -0.553 . . . . 65.450000000000003 110.062 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.8 tp10 -113.61 132.75 55.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.387 -0.597 . . . . 70.129999999999995 109.387 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -128.07 136.54 59.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.348 0.594 . . . . 74.019999999999996 110.6 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.604 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 41.8 tt0 -113.53 115.26 27.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.925 -1.139 . . . . 61.439999999999998 107.925 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG12 ' SG ' ' A' ' 33' ' ' CYS . 61.1 t -113.58 124.26 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.124 0.487 . . . . 63.43 110.935 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 35.4 mt-10 -113.63 118.09 33.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.799 -1.186 . . . . 65.129999999999995 107.799 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 7' ' ' TYR . 88.8 m -113.38 142.03 46.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 73.439999999999998 112.075 -168.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 31.4 mt-10 -131.05 -179.53 5.39 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.689 -1.142 . . . . 45.439999999999998 109.527 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.514 -0.755 . . . . 72.129999999999995 109.78 175.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.758 0.789 . . . . 52.140000000000001 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -93.57 107.87 19.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.001 -1.454 . . . . 72.129999999999995 110.219 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 16.1 mm100 -115.78 127.95 55.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.532 0.682 . . . . 64.329999999999998 110.569 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.549 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.3 123.63 10.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.904 -1.044 . . . . 65.310000000000002 108.671 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -129.34 168.42 16.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.096 0.474 . . . . 74.439999999999998 111.399 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.42 HH21 ' CD ' ' A' ' 34' ' ' GLU . 16.0 ptm180 -117.61 138.82 51.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 74.310000000000002 109.823 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 92.9 t80 -145.63 148.4 33.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.943 -0.762 . . . . 75.349999999999994 108.943 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -113.64 132.38 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.983 -0.377 . . . . 72.329999999999998 109.983 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.86 -143.43 10.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.195 -0.526 . . . . 42.350000000000001 112.158 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -103.45 149.58 24.68 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.911 0.386 . . . . 55.5 111.525 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.28 -44.6 53.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.563 -0.744 . . . . 75.450000000000003 111.573 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 4.0 tm-20 -52.37 -51.53 58.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.041 -0.527 . . . . 75.420000000000002 110.61 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.6 -38.6 91.75 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.801 -0.636 . . . . 73.540000000000006 110.73 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.1 m -56.34 -54.46 45.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.473 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -62.75 -40.76 98.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.72 -0.673 . . . . 73.030000000000001 111.234 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 2.2 mptm? -59.19 -50.83 72.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.834 0.349 . . . . 75.530000000000001 110.268 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -59.58 -39.0 82.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.895 -0.593 . . . . 65.540000000000006 110.311 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' HG11 ' A' ' 31' ' ' VAL . . . -67.18 -38.87 86.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.634 -0.712 . . . . 71.319999999999993 110.992 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.95 -43.23 75.44 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.407 -0.36 . . . . 63.009999999999998 110.145 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -58.85 -42.71 89.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 109.977 174.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.82 -41.53 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 72.340000000000003 110.88 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -67.73 -42.68 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 74.420000000000002 110.614 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.466 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 4.1 ptm180 -76.14 -19.42 58.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.733 -0.469 . . . . 71.340000000000003 109.733 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -69.9 -62.26 1.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.732 -0.667 . . . . 75.409999999999997 110.232 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.8 m -124.58 125.69 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.704 -0.225 . . . . 72.129999999999995 110.553 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.43 65.71 2.02 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 116.433 -0.349 . . . . 55.299999999999997 112.991 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.8 m -112.46 -159.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.534 -0.543 . . . . 72.129999999999995 109.534 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -112.86 99.73 8.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.061 -1.459 . . . . 74.25 107.061 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.5 p -128.14 141.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.506 -0.77 . . . . 65.219999999999999 112.114 -166.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -148.78 168.45 22.92 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.323 -0.853 . . . . 71.129999999999995 110.933 170.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 18' ' ' ALA . 7.1 p -137.17 146.1 28.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.484 -1.235 . . . . 73.219999999999999 108.732 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -112.58 158.81 19.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.128 -0.693 . . . . 72.140000000000001 109.128 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 8.9 m -113.43 131.0 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.208 0.528 . . . . 71.049999999999997 111.299 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 6' ' ' ARG . 39.6 mt-10 -115.97 166.02 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 73.439999999999998 109.064 173.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.607 -0.711 . . . . 74.409999999999997 109.207 176.059 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 5.9 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.024 0.44 . . . . 73.219999999999999 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.75 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 10.4 mtmp? -118.19 144.97 45.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.725 -0.472 . . . . 71.439999999999998 109.725 177.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -151.39 148.69 28.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.699 0.285 . . . . 74.140000000000001 110.521 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -113.95 150.26 34.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.804 0.335 . . . . 64.109999999999999 110.589 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.9 mmm180 -141.22 168.34 20.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.714 -0.676 . . . . 75.129999999999995 109.263 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -140.01 135.03 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 72.230000000000004 109.928 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -124.56 141.61 51.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.489 -0.778 . . . . 74.319999999999993 109.3 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.57 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -113.88 136.05 53.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 74.319999999999993 110.84 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.75 -82.46 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.493 -0.643 . . . . 32.039999999999999 111.493 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.3 m -156.36 151.18 26.03 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.94 -0.393 . . . . 52.539999999999999 109.94 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.736 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.9 pt-20 -52.65 -40.15 62.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 54.420000000000002 112.037 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.85 -50.17 74.51 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 71.109999999999999 110.074 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -58.07 -41.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 71.129999999999995 110.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -62.27 -45.21 94.32 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.973 -0.558 . . . . 74.140000000000001 110.455 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 35.5 mtp180 -61.39 -46.47 90.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.554 -0.748 . . . . 71.230000000000004 110.658 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -58.33 -46.07 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 71.430000000000007 110.267 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -57.1 -41.18 78.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.64 -0.709 . . . . 73.310000000000002 110.331 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.73 88.02 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.961 -0.563 . . . . 61.340000000000003 111.385 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 28.2 mm-40 -62.16 -51.73 66.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.072 -0.513 . . . . 75.239999999999995 110.099 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -54.43 -46.55 73.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.67 -0.696 . . . . 74.420000000000002 110.409 176.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -52.65 63.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.298 -0.41 . . . . 74.420000000000002 111.266 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -65.46 -41.57 93.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.985 -0.552 . . . . 71.219999999999999 112.01 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 3.1 ptp180 -75.69 -24.19 56.25 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.728 0.299 . . . . 72.430000000000007 110.963 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 12.1 tpt180 -72.92 -50.69 22.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.046 0.45 . . . . 65.310000000000002 110.073 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -119.31 122.56 42.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.651 -0.704 . . . . 72.019999999999996 110.527 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 80.96 0.08 OUTLIER Glycine 0 C--N 1.335 0.476 0 O-C-N 123.409 0.443 . . . . 64.239999999999995 112.456 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.0 m -153.66 -169.67 3.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.865 0.466 . . . . 70.019999999999996 109.858 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.75 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 8.2 tp10 -112.99 102.34 10.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.695 -0.854 . . . . 74.25 108.695 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -113.68 125.94 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.875 -0.602 . . . . 70.230000000000004 109.965 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.62 131.35 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.879 -0.6 . . . . 52.109999999999999 109.383 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 5' ' ' ARG . 98.5 t -114.12 146.7 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.222 0.534 . . . . 73.140000000000001 110.443 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.25 145.01 41.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.567 -1.272 . . . . 71.519999999999996 107.567 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.736 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 17.0 t -113.67 140.22 48.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.234 0.54 . . . . 64.409999999999997 112.164 -168.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.83 175.13 9.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.134 -0.939 . . . . 74.010000000000005 108.735 175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.453 -0.784 . . . . 64.340000000000003 110.419 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.102 0.477 . . . . 65.430000000000007 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.608 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 59.4 mttp -131.41 137.79 48.81 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.586 -0.734 . . . . 73.409999999999997 110.218 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 53.2 mt-30 -146.3 135.21 22.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 51.149999999999999 110.473 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -121.48 136.05 54.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.902 -0.777 . . . . 74.420000000000002 108.902 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -136.7 146.99 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 74.420000000000002 111.616 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -113.76 118.1 33.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.338 -0.986 . . . . 74.310000000000002 108.338 172.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -113.39 129.22 56.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.708 -0.479 . . . . 74.0 109.708 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.571 ' HG3' ' HB2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -113.47 130.05 56.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.224 -0.444 . . . . 71.439999999999998 109.861 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.4 -80.55 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.947 -0.861 . . . . 71.5 110.947 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.491 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 39.5 m -159.17 164.71 34.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 110.012 -0.366 . . . . 74.439999999999998 110.012 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 16.9 mm-40 -53.13 -60.05 3.77 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.612 0.57 . . . . 75.109999999999999 111.511 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.37 -40.38 82.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.517 -0.31 . . . . 74.310000000000002 111.009 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 10.7 mm-40 -58.6 -49.25 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 74.140000000000001 110.068 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.06 -49.58 76.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.177 -0.92 . . . . 35.210000000000001 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 96.8 mtt180 -61.97 -46.75 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 70.409999999999997 110.562 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.79 -39.72 89.94 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.145 -0.48 . . . . 64.540000000000006 110.819 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.51 -48.11 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.909 0.385 . . . . 72.299999999999997 110.148 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -45.93 84.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.599 -0.728 . . . . 74.150000000000006 110.427 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 14.9 tp10 -59.46 -52.37 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 64.230000000000004 110.542 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -51.58 -54.02 32.0 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.133 -0.485 . . . . 61.350000000000001 110.766 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 29' ' ' VAL . 30.8 tp -62.59 -39.36 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 64.409999999999997 110.78 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -68.78 -44.89 72.7 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.079 -0.509 . . . . 53.420000000000002 111.092 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.77 -26.87 55.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.719 0.295 . . . . 73.120000000000005 111.078 -178.104 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 45.3 ttp180 -77.81 -47.38 19.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.05 0.452 . . . . 74.230000000000004 110.524 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -126.67 112.99 16.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 71.430000000000007 110.528 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 74.04 0.45 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.99 -0.55 . . . . 72.540000000000006 112.334 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.9 m -120.18 -164.26 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.596 0.358 . . . . 64.129999999999995 110.419 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.608 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 7.8 tp10 -113.29 103.17 11.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.657 -0.868 . . . . 61.119999999999997 108.657 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.626 HG22 HD22 ' A' ' 21' ' ' LEU . 7.3 p -118.41 145.33 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 111.851 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -133.13 119.3 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.433 -0.803 . . . . 62.420000000000002 109.102 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.06 143.96 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.956 -0.387 . . . . 60.130000000000003 109.956 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.58 148.18 36.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.117 -0.697 . . . . 75.129999999999995 109.117 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.6 m -113.5 119.12 36.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 65.129999999999995 110.414 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' HG3' ' A' ' 8' ' ' ARG . 41.5 mt-10 -130.84 179.82 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.729 -0.669 . . . . 75.409999999999997 110.195 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.756 -0.64 . . . . 51.340000000000003 109.553 177.557 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.94 0.4 . . . . 65.519999999999996 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -115.67 130.14 56.75 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.135 -0.691 . . . . 74.209999999999994 109.135 171.616 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -113.95 150.89 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 74.140000000000001 111.242 -171.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.451 ' HD2' ' HB3' ' A' ' 30' ' ' GLU . 12.3 mmm180 -127.48 113.52 16.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 70.310000000000002 109.161 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.3 mmt180 -128.89 159.87 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.37 0.605 . . . . 73.129999999999995 111.105 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -132.31 141.81 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.65 -0.87 . . . . 74.239999999999995 108.65 172.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 13' ' ' GLU . 13.9 t80 -131.68 127.12 36.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.428 -0.582 . . . . 74.340000000000003 109.428 -177.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -113.61 130.26 56.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 75.409999999999997 110.283 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.68 -61.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.172 -0.771 . . . . 64.329999999999998 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.8 p -175.88 171.77 2.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 110.206 -0.294 . . . . 73.239999999999995 110.206 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -56.65 -46.59 80.96 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.103 -0.498 . . . . 61.109999999999999 110.055 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.61 -59.39 4.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 64.439999999999998 110.061 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 7.8 mm-40 -57.06 -53.0 63.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.228 -0.896 . . . . 62.049999999999997 111.942 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.65 -48.88 68.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 72.450000000000003 111.751 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -66.5 -38.06 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 70.109999999999999 111.021 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -64.39 -45.51 87.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.743 0.306 . . . . 74.319999999999993 110.256 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -55.0 -46.98 75.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.947 -0.569 . . . . 74.340000000000003 110.377 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.46 81.23 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.035 -0.53 . . . . 62.100000000000001 111.364 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -57.64 11.93 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.452 0.644 . . . . 52.030000000000001 109.638 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.32 -40.47 77.98 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.335 -0.848 . . . . 65.450000000000003 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.696 ' HB3' HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -57.8 -54.34 47.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.866 0.365 . . . . 73.129999999999995 110.428 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -60.29 -45.0 94.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 42.039999999999999 111.276 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -79.99 -40.36 28.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.108 0.411 . . . . 64.540000000000006 112.108 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -82.38 -46.3 13.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.899 0.38 . . . . 63.439999999999998 111.644 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.1 m -75.83 126.59 31.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 75.340000000000003 111.315 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -77.51 62.37 3.48 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.833 -0.507 . . . . 51.130000000000003 111.833 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 57.0 m -164.98 -169.07 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.478 0.711 . . . . 75.319999999999993 109.379 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 47.5 tt0 -113.28 141.54 46.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.486 -0.931 . . . . 72.340000000000003 108.486 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 21' ' ' LEU . 10.1 p -146.12 148.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.923 0.392 . . . . 62.350000000000001 111.282 -173.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -131.67 138.83 48.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.65 -1.241 . . . . 72.540000000000006 107.65 175.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 61.8 t -135.27 145.69 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 111.346 -171.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -113.22 148.63 35.1 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.98 -0.555 . . . . 72.510000000000005 110.093 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.0 m -114.08 123.59 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 61.119999999999997 111.231 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.47 168.65 16.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.448 -0.575 . . . . 75.349999999999994 109.448 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.909 -0.567 . . . . 64.510000000000005 110.362 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 121.233 0.54 . . . . 75.540000000000006 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 93.0 mttt -114.52 133.53 55.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.032 -0.729 . . . . 74.409999999999997 109.032 174.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -133.81 146.82 51.01 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.95 0.405 . . . . 73.340000000000003 111.574 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 30' ' ' GLU . 21.1 mmt180 -117.75 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.614 -0.721 . . . . 70.030000000000001 109.644 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -118.87 164.8 14.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.558 -0.292 . . . . 71.049999999999997 110.567 -179.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -113.68 133.3 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.184 0.516 . . . . 72.120000000000005 110.453 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 29.7 t80 -131.88 130.14 41.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.966 -1.124 . . . . 72.329999999999998 107.966 175.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 29.3 ptt180 -113.55 134.96 54.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 73.140000000000001 110.198 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.15 -131.21 5.6 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 115.894 -0.593 . . . . 23.210000000000001 112.088 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 16.3 m -84.67 131.81 34.54 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.787 0.327 . . . . 51.340000000000003 110.965 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.93 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.7 pt-20 -64.2 -28.61 69.87 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.123 -0.49 . . . . 74.230000000000004 110.427 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.32 -48.43 78.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 109.527 -0.545 . . . . 64.239999999999995 109.527 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mm-40 -64.95 -40.85 95.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.342 -0.845 . . . . 72.120000000000005 110.434 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 7' ' ' TYR . 64.0 m -57.05 -43.78 82.36 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.828 -0.624 . . . . 60.229999999999997 110.717 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -67.49 -46.52 72.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.274 -0.421 . . . . 73.310000000000002 110.647 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 54.5 mtpt -53.06 -52.0 59.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.985 -0.552 . . . . 71.230000000000004 110.618 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.42 -49.51 76.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.095 -0.957 . . . . 72.129999999999995 111.317 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . -54.14 -51.11 65.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.092 0.472 . . . . 75.439999999999998 111.145 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -64.02 -50.27 69.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.772 -0.649 . . . . 73.230000000000004 111.242 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 12.2 pt-20 -61.26 -49.35 77.44 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.735 0.302 . . . . 74.430000000000007 110.559 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 45.0 tp -60.69 -37.42 81.56 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.045 -0.525 . . . . 70.150000000000006 110.217 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -58.38 -57.78 11.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.813 -0.63 . . . . 74.099999999999994 110.381 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.9 ppt_? -73.84 -19.24 60.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.807 0.336 . . . . 71.540000000000006 111.325 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -70.89 -52.65 18.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.212 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -75.35 -42.09 55.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 70.420000000000002 111.271 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.09 -15.9 59.95 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 111.375 -0.69 . . . . 74.530000000000001 111.375 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.1 m -83.84 -164.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.65 0.38 . . . . 34.450000000000003 110.012 176.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 13.4 tp10 -113.67 127.24 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.545 -0.539 . . . . 52.240000000000002 109.545 175.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -151.16 124.09 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.822 -0.626 . . . . 62.039999999999999 109.972 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -125.9 147.71 49.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.606 -0.887 . . . . 74.450000000000003 108.606 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG12 ' HB2' ' A' ' 5' ' ' ARG . 7.0 m -113.89 165.43 8.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.239 0.542 . . . . 70.340000000000003 109.842 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.49 143.0 45.25 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.114 -1.069 . . . . 65.120000000000005 108.114 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.93 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 5.5 t -113.31 110.42 20.33 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.352 -0.61 . . . . 60.310000000000002 109.352 -173.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 26.6 mt-10 -137.82 -178.93 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.549 -0.751 . . . . 70.239999999999995 110.378 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.33 -0.843 . . . . 72.519999999999996 109.477 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.22 0.533 . . . . 75.420000000000002 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 95.6 mttt -125.1 123.98 40.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.533 -0.758 . . . . 72.299999999999997 109.687 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -114.59 163.95 14.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 72.319999999999993 110.169 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 6.1 ptp180 -137.48 133.71 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.02 -0.733 . . . . 72.010000000000005 109.02 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.576 ' HD3' HD11 ' A' ' 21' ' ' LEU . 67.2 mtp85 -147.66 177.11 9.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.69 0.281 . . . . 73.010000000000005 111.007 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.439 ' H ' ' HD2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -131.75 152.8 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 74.310000000000002 110.722 -177.137 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.453 ' HE1' ' HB3' ' A' ' 13' ' ' GLU . 24.1 t80 -153.55 171.71 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.487 -0.931 . . . . 72.239999999999995 108.487 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -141.13 135.7 31.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.426 -0.213 . . . . 73.299999999999997 110.426 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.78 -152.82 24.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.049 -0.595 . . . . 75.019999999999996 112.669 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -101.62 179.33 4.37 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.068 0.461 . . . . 64.409999999999997 111.416 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.47 -43.15 75.24 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.368 -0.833 . . . . 73.329999999999998 111.774 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.07 -48.68 77.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.193 0.52 . . . . 64.129999999999995 110.105 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 36.7 mt-10 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.005 -0.998 . . . . 74.430000000000007 110.636 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.92 -52.12 66.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 111.063 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -60.36 -58.6 7.82 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.06 -0.518 . . . . 65.439999999999998 110.722 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -48.17 -53.12 17.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.415 -0.811 . . . . 75.409999999999997 111.289 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 84.4 t80 -57.2 -53.68 55.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 74.010000000000005 111.11 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.16 80.84 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.032 -0.531 . . . . 74.310000000000002 111.904 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.32 -48.98 75.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 54.530000000000001 110.648 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.91 -41.15 91.08 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 110.391 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD11 ' HD3' ' A' ' 5' ' ' ARG . 3.8 tt -57.74 -50.77 72.11 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.821 -0.627 . . . . 74.019999999999996 109.975 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.406 ' OG ' HG11 ' A' ' 29' ' ' VAL . 19.2 m -60.83 -56.56 19.77 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.957 -0.565 . . . . 65.510000000000005 111.307 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.99 -25.44 67.09 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.992 -0.549 . . . . 73.129999999999995 111.695 -174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -80.17 -58.55 3.09 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 71.140000000000001 110.776 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -66.04 -21.05 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 73.230000000000004 111.44 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.06 47.25 24.95 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.749 -0.94 . . . . 71.109999999999999 110.749 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -150.87 -175.44 5.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.056 -0.572 . . . . 61.43 110.551 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.7 tp10 -113.49 140.73 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.852 -1.166 . . . . 74.549999999999997 107.852 171.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG11 ' OG ' ' A' ' 22' ' ' SER . 11.7 p -141.92 142.33 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.266 0.555 . . . . 74.25 111.49 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.7 mt-10 -113.79 120.83 42.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.803 -0.814 . . . . 65.109999999999999 108.803 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.84 144.87 23.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.664 -0.698 . . . . 65.25 109.537 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -112.93 142.22 45.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.164 -0.68 . . . . 71.340000000000003 109.164 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.0 m -113.49 135.39 53.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.311 0.577 . . . . 73.010000000000005 111.357 -172.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -119.89 174.17 6.61 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.227 -0.897 . . . . 74.340000000000003 109.867 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.565 -0.731 . . . . 73.409999999999997 109.577 -178.14 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.493 0.663 . . . . 45.329999999999998 110.273 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.3 tmmm? -120.21 110.65 16.85 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.11 -1.07 . . . . 74.200000000000003 108.11 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 24.1 tt0 -128.95 161.28 30.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.363 -0.38 . . . . 71.549999999999997 110.424 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.6 ttp180 -135.73 144.76 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.671 0.272 . . . . 64.439999999999998 110.482 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -136.54 174.3 10.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.097 -0.501 . . . . 64.430000000000007 110.339 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -129.51 125.62 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.03 -0.359 . . . . 71.519999999999996 110.03 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -113.82 158.55 20.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.619 -0.882 . . . . 73.400000000000006 108.619 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -113.62 124.71 52.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 73.430000000000007 110.251 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 -141.01 7.98 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 116.008 -0.542 . . . . 62.439999999999998 111.953 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -108.35 169.56 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.218 -0.29 . . . . 73.209999999999994 110.218 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -36.35 83.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.452 -0.34 . . . . 75.409999999999997 111.143 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.93 -51.55 65.74 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.478 0.656 . . . . 74.450000000000003 110.13 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.51 -39.12 92.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.27 -0.877 . . . . 62.210000000000001 110.414 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.76 -46.52 88.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.501 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.57 -54.31 34.07 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.0 -0.545 . . . . 75.510000000000005 110.959 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -56.57 -46.12 80.94 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.718 0.294 . . . . 51.25 110.619 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -57.21 -48.58 78.44 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.846 -0.615 . . . . 73.409999999999997 110.788 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.79 89.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.392 -0.367 . . . . 64.519999999999996 111.256 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.25 -51.8 61.83 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.246 0.546 . . . . 71.239999999999995 109.62 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 47.8 mt-10 -62.99 -40.38 97.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 73.230000000000004 110.613 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.65 -44.29 97.25 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.774 -0.648 . . . . 63.329999999999998 110.202 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -63.68 -51.67 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 65.340000000000003 110.716 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.6 ptp180 -66.78 -30.63 70.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.651 0.262 . . . . 72.340000000000003 110.86 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.25 -49.46 64.32 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.853 0.358 . . . . 72.329999999999998 110.093 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.4 p -74.19 -29.15 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 61.539999999999999 110.697 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.38 79.44 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-N 115.962 -0.563 . . . . 60.109999999999999 111.887 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 73.0 m -127.48 -159.11 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.617 0.367 . . . . 72.329999999999998 110.018 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 36.4 tt0 -113.69 113.82 25.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.083 0.468 . . . . 73.200000000000003 110.22 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 43.4 t -127.08 137.36 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 65.349999999999994 110.522 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 46.7 tt0 -113.73 152.56 30.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.871 -0.789 . . . . 73.239999999999995 108.871 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.76 148.06 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 72.030000000000001 110.359 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.89 163.61 14.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.79 -0.818 . . . . 62.310000000000002 108.79 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.38 125.77 54.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.166 0.508 . . . . 73.340000000000003 110.953 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.97 164.44 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 74.129999999999995 109.332 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.937 -0.554 . . . . 72.420000000000002 110.47 178.044 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 25.7 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.047 0.451 . . . . 52.32 110.455 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -112.74 128.44 56.42 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.426 -0.583 . . . . 71.340000000000003 109.426 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -122.98 130.41 52.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.171 0.51 . . . . 73.0 110.034 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -115.84 117.89 31.46 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.318 -0.993 . . . . 72.25 108.318 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HB2' HG22 ' A' ' 31' ' ' VAL . 35.1 mmt180 -113.39 138.29 50.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 72.409999999999997 111.193 -170.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -113.75 103.27 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.384 -0.969 . . . . 65.209999999999994 108.384 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -113.59 148.46 36.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.165 -173.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -117.82 112.26 20.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 73.340000000000003 109.974 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.3 179.39 43.13 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.686 -0.688 . . . . 22.539999999999999 111.389 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -83.39 171.04 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.582 0.23 . . . . 73.439999999999998 110.991 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -46.82 -41.66 15.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.778 -0.646 . . . . 74.019999999999996 112.019 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.95 -52.4 56.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.641 -0.254 . . . . 70.319999999999993 110.569 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.6 -42.14 70.76 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.956 0.408 . . . . 72.120000000000005 110.345 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.9 m -56.74 -54.16 49.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.666 -0.697 . . . . 73.420000000000002 110.768 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -60.6 -44.68 95.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.448 -0.342 . . . . 75.420000000000002 111.294 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.94 -59.53 4.97 Favored 'General case' 0 N--CA 1.422 -1.833 0 C-N-CA 123.695 0.798 . . . . 72.040000000000006 110.918 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.06 -47.6 85.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.403 -0.817 . . . . 72.349999999999994 110.925 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.7 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.975 -0.557 . . . . 64.430000000000007 111.421 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.87 -46.15 69.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.494 -0.321 . . . . 71.219999999999999 110.705 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.04 -47.56 74.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.942 0.401 . . . . 74.430000000000007 110.753 176.408 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.91 -50.21 71.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.026 -0.534 . . . . 72.310000000000002 110.24 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -64.92 -34.19 77.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.939 -0.573 . . . . 74.420000000000002 111.306 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 6.5 ptm180 -82.07 -25.09 34.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.072 0.463 . . . . 74.329999999999998 109.922 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.48 -48.57 66.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.77 -0.65 . . . . 74.420000000000002 110.502 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -111.76 117.73 33.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 70.109999999999999 111.217 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.89 77.85 0.15 Allowed Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.129 -0.487 . . . . 13.34 111.977 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 1.7 m -151.23 -165.54 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.886 0.474 . . . . 45.039999999999999 110.201 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -113.35 110.86 21.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.212 -0.662 . . . . 74.420000000000002 109.212 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.21 126.7 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.026 -0.534 . . . . 71.140000000000001 110.902 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -114.45 122.81 47.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.071 -0.714 . . . . 75.230000000000004 109.071 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 5' ' ' ARG . 57.2 t -116.69 133.91 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.779 0.323 . . . . 75.5 111.011 -176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.2 156.91 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.024 -0.732 . . . . 72.040000000000006 109.024 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.17 138.24 53.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.101 0.477 . . . . 74.450000000000003 112.031 -172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -133.37 -179.81 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.669 -0.864 . . . . 74.140000000000001 108.669 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.73 -0.652 . . . . 74.230000000000004 110.629 -178.586 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 2.2 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.407 0.622 . . . . 54.520000000000003 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 67.9 mttm -122.97 95.16 4.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.17 -0.923 . . . . 72.230000000000004 108.554 174.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -114.06 174.26 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.703 -0.48 . . . . 62.030000000000001 109.703 -171.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.548 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 6.2 ptp85 -150.12 152.72 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 75.510000000000005 112.008 -177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.04 161.48 33.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.362 -0.836 . . . . 74.420000000000002 110.073 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -113.54 112.76 24.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.203 -0.665 . . . . 70.299999999999997 109.203 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -113.55 145.12 41.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.387 -0.824 . . . . 75.150000000000006 110.266 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -114.07 131.15 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.172 -0.306 . . . . 71.219999999999999 110.172 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.53 -158.74 30.57 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.624 -0.59 . . . . 72.120000000000005 111.624 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -79.62 152.58 29.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.251 -0.277 . . . . 65.329999999999998 110.251 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.7 mt-10 -48.43 -50.43 31.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.85 0.46 . . . . 74.120000000000005 110.841 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.35 -44.56 92.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 74.200000000000003 110.815 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.19 -37.34 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.639 . . . . 74.430000000000007 110.452 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -65.6 -42.21 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 74.129999999999995 110.167 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 24.6 mmm180 -67.74 -35.91 79.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 74.140000000000001 110.348 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 3.5 tppp? -71.94 -40.34 68.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.787 -0.642 . . . . 71.230000000000004 109.602 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -59.23 -44.49 92.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.444 -0.798 . . . . 72.140000000000001 109.534 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.12 46.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.282 -0.872 . . . . 65.510000000000005 111.662 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.0 pt-20 -62.84 -44.2 96.76 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.486 -0.325 . . . . 65.299999999999997 110.738 -176.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.1 -52.24 66.35 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.502 -0.317 . . . . 75.219999999999999 110.643 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 29' ' ' VAL . 4.1 mt -57.91 -44.0 86.56 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.229 -0.441 . . . . 73.120000000000005 111.206 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -69.27 -35.66 76.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 74.129999999999995 111.459 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -82.17 -31.11 30.62 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.776 0.322 . . . . 63.009999999999998 110.697 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -68.67 -47.57 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.205 0.526 . . . . 75.140000000000001 110.134 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -95.2 133.87 38.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.481 -0.781 . . . . 73.420000000000002 109.873 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.04 56.74 3.15 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.162 -0.542 . . . . 32.5 111.839 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 93.6 m -154.0 -169.73 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.175 -0.676 . . . . 55.009999999999998 109.175 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.538 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 36.8 tt0 -113.77 126.75 55.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.565 -0.531 . . . . 62.530000000000001 109.565 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.626 HG11 HD11 ' A' ' 21' ' ' LEU . 60.6 t -125.85 137.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.989 -0.55 . . . . 72.219999999999999 109.832 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 33.2 tt0 -113.75 143.8 44.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.812 -0.81 . . . . 74.040000000000006 108.812 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.61 146.3 29.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.26 0.552 . . . . 74.530000000000001 110.501 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -112.8 139.88 48.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.6 -1.259 . . . . 73.049999999999997 107.6 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -113.5 113.94 25.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.986 0.422 . . . . 35.109999999999999 110.864 -170.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.03 156.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.734 . . . . 63.310000000000002 109.167 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.601 -0.714 . . . . 70.409999999999997 109.962 -179.044 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.05 0.452 . . . . 72.450000000000003 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 65.6 mttp -108.07 133.36 52.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.26 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -137.53 163.81 30.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.258 -0.428 . . . . 74.430000000000007 109.976 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.765 ' HG2' ' HB2' ' A' ' 30' ' ' GLU . 55.1 mtp85 -146.22 133.44 20.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.846 0.355 . . . . 71.439999999999998 110.588 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -114.91 -179.96 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 63.100000000000001 109.575 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -131.79 153.07 50.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.868 0.366 . . . . 74.120000000000005 110.731 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.23 140.2 23.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 64.340000000000003 109.385 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -113.84 133.34 55.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.895 0.379 . . . . 75.430000000000007 110.758 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.78 -137.44 5.08 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.324 -0.71 . . . . 63.32 111.324 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -96.31 152.04 18.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.164 -0.31 . . . . 74.409999999999997 110.164 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -49.81 -44.92 49.5 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.417 -0.356 . . . . 71.049999999999997 111.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.74 -50.85 67.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.057 -0.52 . . . . 71.099999999999994 110.189 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.11 -43.72 91.94 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.642 -0.708 . . . . 73.329999999999998 110.461 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.24 -48.25 82.31 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.871 -0.604 . . . . 75.329999999999998 110.87 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -67.62 -42.34 82.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 74.310000000000002 111.611 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -67.49 -38.86 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.944 -0.302 . . . . 72.310000000000002 110.836 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.7 -42.88 97.92 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.315 -0.624 . . . . 73.140000000000001 109.315 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.55 88.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.773 -0.648 . . . . 74.329999999999998 110.956 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.85 -51.61 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.757 -0.656 . . . . 74.219999999999999 110.772 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.8 -44.38 90.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 71.109999999999999 110.83 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 tp -64.85 -38.31 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.308 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.3 t -64.04 -45.94 86.64 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.767 -0.651 . . . . 75.349999999999994 110.886 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.09 -25.65 52.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 111.049 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -75.91 -48.53 20.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 72.519999999999996 111.39 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -77.64 136.6 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 62.200000000000003 111.451 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -79.28 60.83 4.23 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 111.829 -0.508 . . . . 72.439999999999998 111.829 176.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 18.0 m -169.16 -164.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.308 0.643 . . . . 64.540000000000006 109.734 -177.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.5 tp10 -113.6 99.89 8.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.351 -0.981 . . . . 73.109999999999999 108.351 173.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.04 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 75.019999999999996 110.592 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.765 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 38.6 mt-10 -118.17 -179.71 3.85 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.812 0.815 . . . . 74.209999999999994 110.798 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.7 154.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-N 114.035 -1.439 . . . . 71.120000000000005 109.858 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -113.13 149.63 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.131 -1.063 . . . . 65.439999999999998 108.131 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.6 t -113.48 126.59 55.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 74.010000000000005 110.684 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.31 -179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.929 -0.767 . . . . 65.409999999999997 108.929 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 110.116 -0.328 . . . . 72.540000000000006 110.116 177.375 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.19 -0.3 . . . . 72.409999999999997 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.9 tppt? -122.35 137.05 54.99 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.657 0.383 . . . . 71.200000000000003 109.997 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.911 -0.774 . . . . 74.109999999999999 108.911 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.594 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 75.6 mtp180 -113.96 127.94 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.796 0.331 . . . . 74.310000000000002 110.494 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -132.26 153.64 50.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.089 -0.505 . . . . 74.299999999999997 110.464 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -113.71 125.98 54.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.765 -0.828 . . . . 54.200000000000003 108.765 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 51.6 t80 -131.04 154.56 48.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.782 -0.644 . . . . 75.540000000000006 109.714 -168.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 5.5 ptm180 -113.82 129.39 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.599 -0.519 . . . . 63.229999999999997 109.599 174.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.06 167.95 28.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.582 -0.818 . . . . 70.420000000000002 112.937 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 12.8 m -62.22 158.94 15.88 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.464 0.306 . . . . 72.420000000000002 110.403 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.1 mt-10 -49.04 -46.66 44.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.962 0.411 . . . . 73.329999999999998 110.471 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 46.6 mt-10 -57.58 -49.76 75.34 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.631 -0.713 . . . . 74.340000000000003 111.013 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 33.0 mm-40 -56.86 -39.98 75.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.13 0.491 . . . . 73.310000000000002 110.126 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -63.81 -41.7 97.84 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.4 -0.818 . . . . 74.420000000000002 110.237 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 23.9 mmt180 -60.82 -53.43 57.39 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.238 0.542 . . . . 71.450000000000003 110.231 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 27.9 mtpp -57.97 -48.01 81.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.998 -1.001 . . . . 74.230000000000004 110.772 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.42 -45.57 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.921 -0.581 . . . . 73.150000000000006 110.473 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.2 71.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 64.420000000000002 110.949 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.32 -51.71 66.56 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.463 -0.335 . . . . 70.439999999999998 110.489 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -50.67 -49.74 56.49 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.047 -0.524 . . . . 72.329999999999998 111.176 -178.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 29' ' ' VAL . 28.1 tp -71.12 -37.62 72.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.228 -0.442 . . . . 64.0 110.709 -176.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -66.58 -37.71 85.5 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.44 -0.346 . . . . 70.129999999999995 110.704 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -81.99 -33.51 30.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.652 0.263 . . . . 74.420000000000002 110.575 178.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -64.33 -48.5 75.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.079 -0.51 . . . . 72.019999999999996 110.826 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.8 p -105.38 131.84 52.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 72.120000000000005 110.529 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.65 72.63 0.82 Allowed Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.985 -0.446 . . . . 23.510000000000002 111.985 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.8 m -155.64 -166.1 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.831 0.452 . . . . 70.340000000000003 109.892 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 10.8 tp10 -113.6 126.16 54.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.818 -1.179 . . . . 75.129999999999995 107.818 174.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG13 HD23 ' A' ' 21' ' ' LEU . 80.7 t -113.95 141.39 30.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.274 0.559 . . . . 75.439999999999998 110.9 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 23.5 tt0 -134.57 115.6 14.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.117 -0.947 . . . . 75.409999999999997 108.919 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG13 ' SG ' ' A' ' 33' ' ' CYS . 60.6 t -113.68 132.48 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 70.099999999999994 110.31 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.66 114.82 26.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.612 -1.255 . . . . 64.329999999999998 107.612 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' HG13 ' A' ' 31' ' ' VAL . 72.1 m -113.24 134.99 54.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 62.229999999999997 112.037 -165.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 30.6 mt-10 -131.7 -179.5 5.42 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.132 -0.94 . . . . 65.239999999999995 109.499 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.606 -0.712 . . . . 73.530000000000001 109.418 171.084 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.47 0.652 . . . . 74.409999999999997 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 62.9 tttp -129.01 130.3 46.46 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.104 -0.953 . . . . 63.409999999999997 109.497 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -138.33 147.85 43.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 9.6 ptm180 -113.82 141.56 47.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 72.099999999999994 110.12 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.482 ' HB2' HG23 ' A' ' 31' ' ' VAL . 1.3 mmp_? -132.85 164.81 26.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 73.519999999999996 109.576 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -131.91 119.11 20.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.192 -0.67 . . . . 74.329999999999998 109.192 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -117.87 152.53 35.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.307 -0.627 . . . . 74.439999999999998 109.307 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.27 144.58 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.228 -0.286 . . . . 64.530000000000001 110.228 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -64.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.064 -0.815 . . . . 64.030000000000001 111.064 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -169.46 143.76 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.204 -0.665 . . . . 75.409999999999997 109.204 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.525 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 35.2 mt-10 -50.01 -36.13 27.37 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.733 0.302 . . . . 75.420000000000002 111.309 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 43.1 tt0 -64.24 -60.33 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.179 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.2 -26.7 68.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.86 0.362 . . . . 74.150000000000006 110.353 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.39 -53.22 38.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.037 -0.529 . . . . 72.340000000000003 110.897 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.99 -35.05 79.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.693 -0.403 . . . . 74.140000000000001 110.402 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.1 mmmm -58.23 -55.26 37.33 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.429 -0.582 . . . . 65.400000000000006 109.429 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.496 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 t80 -49.26 -47.93 46.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.626 -0.715 . . . . 72.25 110.151 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 -63.36 1.33 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.661 -0.699 . . . . 72.329999999999998 112.085 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.93 -35.58 81.63 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.774 0.321 . . . . 73.099999999999994 111.194 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.707 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 48.6 mt-10 -70.85 -33.8 71.01 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.75 0.31 . . . . 63.240000000000002 110.399 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' HB3' HG13 ' A' ' 29' ' ' VAL . 4.6 tt -64.23 -41.91 96.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.829 -0.804 . . . . 65.109999999999999 108.829 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 t -70.51 -33.28 71.03 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.708 -0.678 . . . . 64.120000000000005 111.627 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.707 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.4 ptm180 -76.62 -31.92 57.72 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.923 -0.399 . . . . 72.439999999999998 109.923 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -67.93 -71.61 0.2 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.241 0.543 . . . . 75.230000000000004 110.283 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 m -91.63 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.63 -0.714 . . . . 72.049999999999997 110.15 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.11 73.86 0.38 Allowed Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.212 -0.518 . . . . 75.109999999999999 112.476 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -152.29 173.65 14.76 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.988 0.423 . . . . 65.230000000000004 110.566 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 35.3 tt0 -113.86 115.16 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.822 -0.807 . . . . 72.010000000000005 108.822 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG13 ' HB3' ' A' ' 21' ' ' LEU . 7.5 p -113.69 128.53 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 75.019999999999996 109.903 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 39.7 tt0 -113.62 112.68 23.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.739 -0.838 . . . . 74.040000000000006 108.739 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 HG23 ' HB2' ' A' ' 5' ' ' ARG . 59.8 t -113.77 143.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.015 0.436 . . . . 70.049999999999997 110.86 -172.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.1 139.43 48.72 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.095 -1.076 . . . . 64.420000000000002 108.095 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 38.3 t -113.77 137.18 52.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.115 0.483 . . . . 62.32 112.017 -169.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.2 -179.87 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 73.329999999999998 108.612 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.803 -0.618 . . . . 74.239999999999995 110.025 176.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 49.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.851 0.358 . . . . 60.210000000000001 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -112.83 118.13 34.08 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.423 -0.584 . . . . 73.049999999999997 109.423 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -113.37 127.64 56.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 72.019999999999996 110.186 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -115.72 107.13 14.69 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.529 -1.286 . . . . 71.230000000000004 107.529 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.81 154.05 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.538 . . . . 65.540000000000006 111.812 -166.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -119.15 110.66 17.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.006 -0.997 . . . . 61.329999999999998 109.046 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -119.58 142.91 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.464 -0.939 . . . . 74.209999999999994 108.464 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -122.7 141.13 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 75.510000000000005 111.247 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.08 -89.08 0.14 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.132 -0.787 . . . . 63.229999999999997 111.132 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -152.95 149.45 28.24 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.401 -0.592 . . . . 70.030000000000001 109.401 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.95 -29.94 44.71 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.277 0.361 . . . . 71.209999999999994 110.566 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -55.71 -61.64 2.23 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.008 -0.542 . . . . 71.219999999999999 110.0 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.27 -44.36 75.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.682 -0.69 . . . . 73.040000000000006 110.937 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.2 m -66.03 -43.26 88.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.623 -0.717 . . . . 45.399999999999999 111.472 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -75.06 -27.16 59.88 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 122.491 -0.13 . . . . 62.240000000000002 110.951 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -65.76 -46.9 77.07 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.713 -0.477 . . . . 72.340000000000003 109.713 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -57.68 -48.19 80.23 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.581 -0.736 . . . . 70.310000000000002 109.977 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.36 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.747 -0.66 . . . . 44.549999999999997 111.258 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.88 -60.89 2.83 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.953 -0.567 . . . . 73.230000000000004 110.668 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.92 -43.62 81.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 63.539999999999999 111.175 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -62.67 -50.25 71.9 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.97 0.414 . . . . 72.420000000000002 110.417 -177.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -64.85 -38.31 90.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.951 -0.568 . . . . 72.140000000000001 111.308 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.14 -21.75 36.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.053 -0.259 . . . . 71.200000000000003 110.922 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -73.11 -53.05 12.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.99 0.424 . . . . 62.119999999999997 110.329 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.8 p -117.61 135.76 53.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 71.409999999999997 110.597 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.35 68.82 0.9 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.298 -0.477 . . . . 64.239999999999995 112.068 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 5.9 t -136.6 177.85 7.53 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.467 -0.568 . . . . 63.43 109.467 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -113.88 118.47 34.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 72.019999999999996 110.111 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.503 HG22 HD12 ' A' ' 21' ' ' LEU . 5.8 p -135.29 126.8 46.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 55.310000000000002 110.882 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.91 132.93 55.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.797 -0.816 . . . . 71.409999999999997 108.797 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.4 137.07 55.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.137 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.05 140.71 47.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.842 -0.799 . . . . 73.450000000000003 108.842 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.73 123.46 49.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.922 -167.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.73 160.04 19.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.011 -0.54 . . . . 53.329999999999998 109.669 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.483 -0.77 . . . . 61.140000000000001 109.955 179.036 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.566 0.222 . . . . 61.210000000000001 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -129.47 86.73 2.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.189 -1.041 . . . . 74.450000000000003 108.189 168.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 7.4 tt0 -141.29 153.34 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 75.209999999999994 110.497 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.541 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 86.5 mtt180 -126.03 164.79 20.07 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.019 0.437 . . . . 72.099999999999994 111.645 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -138.66 157.85 45.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.416 -0.811 . . . . 75.109999999999999 109.818 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -116.39 117.75 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.594 -0.521 . . . . 70.109999999999999 109.594 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HD1' ' SG ' ' A' ' 14' ' ' CYS . 73.6 t80 -113.89 145.03 42.06 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.531 . . . . 74.030000000000001 109.565 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.551 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -120.19 129.28 54.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.087 0.47 . . . . 72.430000000000007 110.419 -179.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.27 -118.86 0.88 Allowed Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 111.547 -0.621 . . . . 23.43 111.547 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -111.54 146.34 37.48 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.755 0.312 . . . . 63.409999999999997 110.901 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.53 -35.65 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.708 -0.678 . . . . 75.310000000000002 110.404 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.06 -56.65 16.03 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.934 -0.576 . . . . 75.129999999999995 110.615 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.43 -47.1 86.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.442 -0.799 . . . . 75.420000000000002 110.087 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' SG ' ' HD1' ' A' ' 7' ' ' TYR . 58.7 m -59.02 -50.21 74.95 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.542 -0.754 . . . . 54.439999999999998 111.419 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.38 -54.58 30.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.484 -0.325 . . . . 74.239999999999995 110.973 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.16 -41.67 88.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.397 -0.365 . . . . 72.400000000000006 111.271 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.41 -43.87 96.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 74.349999999999994 110.203 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.32 48.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.664 -0.698 . . . . 75.140000000000001 111.127 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 7.6 pt-20 -64.76 -44.09 91.21 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.558 -0.292 . . . . 75.299999999999997 111.292 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.5 mt-10 -56.97 -53.29 59.71 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.088 0.47 . . . . 64.430000000000007 110.369 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.35 -39.24 92.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 74.310000000000002 110.597 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -70.24 -34.49 72.92 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.059 -0.519 . . . . 65.439999999999998 111.299 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.43 -25.32 33.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.923 0.392 . . . . 65.510000000000005 110.455 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -70.37 -53.43 16.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.875 -0.602 . . . . 71.439999999999998 109.805 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -93.62 121.69 35.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.447 -0.797 . . . . 74.230000000000004 109.86 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.21 65.87 1.25 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.249 -0.5 . . . . 73.519999999999996 112.813 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -157.55 -167.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.319 -0.623 . . . . 74.109999999999999 109.319 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -113.34 99.82 8.08 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.808 0.813 . . . . 74.349999999999994 110.669 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.7 p -120.99 123.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.016 -0.993 . . . . 75.329999999999998 109.295 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 35.5 tt0 -114.14 148.34 37.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.957 -0.565 . . . . 71.319999999999993 110.052 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.28 141.73 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.428 -0.582 . . . . 74.420000000000002 109.428 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.38 147.41 37.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.66 -0.867 . . . . 70.209999999999994 108.66 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -113.66 126.36 55.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 65.409999999999997 111.753 -168.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -114.21 162.91 15.94 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.535 -0.757 . . . . 72.120000000000005 109.52 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.574 -0.726 . . . . 73.099999999999994 110.399 176.601 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.175 0.512 . . . . 62.030000000000001 110.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -121.07 121.29 37.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.451 -0.795 . . . . 75.439999999999998 109.672 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 95.3 mt-30 -126.21 147.91 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.619 -0.511 . . . . 72.150000000000006 109.619 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.9 ptm180 -133.73 130.68 38.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.153 -0.684 . . . . 73.439999999999998 109.153 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -129.04 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.358 0.599 . . . . 72.439999999999998 111.695 -170.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD3' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -134.52 122.73 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.269 -0.878 . . . . 61.439999999999998 109.242 -177.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 67.5 t80 -136.56 144.51 44.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.341 -0.615 . . . . 74.319999999999993 109.341 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 6.8 ppt_? -114.07 124.33 51.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.418 0.628 . . . . 74.230000000000004 110.91 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.99 -178.78 39.26 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.647 -0.981 . . . . 52.340000000000003 110.647 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -65.77 148.24 52.09 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.164 0.507 . . . . 60.140000000000001 111.192 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 48.3 mt-10 -55.6 -49.76 71.94 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 115.474 -0.785 . . . . 71.540000000000006 111.503 -175.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.17 -58.79 6.24 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.048 0.218 . . . . 75.040000000000006 111.3 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -59.27 -36.9 76.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.575 0.226 . . . . 63.539999999999999 110.598 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' TYR . 46.2 t -65.01 -42.32 94.57 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.963 0.411 . . . . 71.329999999999998 111.034 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.66 ' NH1' ' SG ' ' A' ' 33' ' ' CYS . 10.2 mpt_? -64.69 -47.72 77.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.355 . . . . 74.439999999999998 110.644 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.78 -27.92 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.119999999999997 110.309 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 80.3 t80 -63.62 -51.02 67.06 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.396 -0.594 . . . . 75.129999999999995 109.396 173.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.6 86.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.204 -0.453 . . . . 71.200000000000003 110.942 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.86 -61.22 2.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.641 -0.709 . . . . 62.43 110.461 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.83 -40.98 81.31 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 123.717 0.807 . . . . 75.420000000000002 111.13 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.12 -51.48 67.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.628 -0.714 . . . . 63.25 111.026 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.7 t -69.89 -33.94 72.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.121 -0.49 . . . . 62.119999999999997 111.406 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -79.52 -31.59 42.16 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 121.061 -0.256 . . . . 74.340000000000003 110.702 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -77.2 -55.62 5.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.865 0.364 . . . . 75.420000000000002 110.313 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -91.84 130.62 37.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 64.310000000000002 109.869 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 74.13 0.12 Allowed Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.321 -0.466 . . . . 64.340000000000003 112.638 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -155.33 171.26 20.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.815 -0.439 . . . . 72.049999999999997 109.815 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.61 126.21 55.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.402 -0.962 . . . . 65.439999999999998 108.402 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 9.6 p -126.93 135.08 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 74.400000000000006 111.767 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 36.8 tt0 -113.72 108.54 17.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.299 -1.0 . . . . 72.200000000000003 108.299 171.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -113.55 136.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.229 -0.656 . . . . 75.209999999999994 109.229 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.8 136.11 52.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.681 -0.859 . . . . 73.099999999999994 108.681 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' NH1' ' A' ' 15' ' ' ARG . 3.2 m -113.68 121.29 43.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.908 -0.587 . . . . 71.209999999999994 111.544 -164.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -113.82 173.57 6.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.551 -0.749 . . . . 71.230000000000004 109.403 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.011 -0.518 . . . . 74.099999999999994 110.722 -179.286 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.593 0.235 . . . . 74.200000000000003 110.553 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 97.2 mttt -123.24 146.54 47.76 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.107 -0.331 . . . . 75.010000000000005 110.107 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 36.2 tt0 -159.92 150.83 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 64.219999999999999 110.908 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -122.79 127.53 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.334 -0.617 . . . . 72.219999999999999 109.334 172.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -113.89 174.89 5.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.967 -0.753 . . . . 73.420000000000002 108.967 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -143.82 130.78 20.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.346 0.593 . . . . 75.420000000000002 111.011 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -113.9 154.69 27.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.674 -1.148 . . . . 72.109999999999999 108.376 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' HB2' ' A' ' 34' ' ' GLU . 36.2 mtm180 -113.55 121.96 45.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.023 0.374 . . . . 65.150000000000006 110.486 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 -155.81 26.64 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.775 -0.648 . . . . 65.219999999999999 111.483 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -69.53 137.83 52.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 110.03 -0.359 . . . . 61.109999999999999 110.03 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.755 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -49.71 -36.06 24.06 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 123.413 0.446 . . . . 72.140000000000001 111.147 -179.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 43.2 tt0 -61.15 -49.18 78.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.586 -0.734 . . . . 73.439999999999998 110.183 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.2 -42.85 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.101 -0.5 . . . . 72.299999999999997 110.385 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.79 -46.35 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 74.219999999999999 110.49 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 22.4 mmt180 -75.39 -26.23 58.29 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 111.591 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 97.3 mttt -60.58 -52.08 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.978 -0.749 . . . . 73.430000000000007 108.978 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.25 -43.0 87.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 75.25 110.432 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.87 39.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.114 -0.494 . . . . 75.209999999999994 111.345 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 73.1 mm-40 -56.42 -55.19 36.7 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.906 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.52 -53.92 50.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.483 -0.78 . . . . 74.340000000000003 110.996 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.6 -43.65 98.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.001 -0.545 . . . . 73.239999999999995 110.848 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -64.04 -38.96 92.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.47 . . . . 72.450000000000003 111.257 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -25.28 34.87 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.861 -0.336 . . . . 73.109999999999999 111.143 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -73.64 -45.33 53.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.753 0.311 . . . . 73.109999999999999 110.883 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.5 p -82.79 167.67 17.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 64.030000000000001 111.414 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.87 16.13 60.73 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.025 -0.83 . . . . 63.350000000000001 111.025 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.8 m -111.01 -179.86 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.766 0.427 . . . . 44.350000000000001 110.547 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.493 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 35.9 tt0 -113.63 99.49 7.77 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.766 -0.828 . . . . 63.43 108.766 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 6.1 p -126.75 127.58 70.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.021 -0.536 . . . . 71.510000000000005 110.643 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -116.68 160.28 20.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.213 -0.662 . . . . 64.150000000000006 109.213 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -123.03 150.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.029 0.443 . . . . 74.409999999999997 110.512 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -113.14 154.09 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.996 -1.113 . . . . 72.430000000000007 107.996 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 7.0 t -115.05 114.27 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.406 . . . . 61.310000000000002 110.845 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HB2' ' HG2' ' A' ' 8' ' ' ARG . 39.1 mm-40 -113.85 179.56 3.92 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.428 -0.805 . . . . 53.25 110.078 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.862 . . . . 62.210000000000001 109.083 172.557 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.78 0.324 . . . . 44.039999999999999 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.67 ' HZ2' ' HB2' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -140.39 139.26 35.26 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.569 -0.53 . . . . 74.319999999999993 109.569 177.271 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -129.58 155.01 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.194 -0.298 . . . . 74.310000000000002 110.194 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.604 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -136.15 119.44 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.84 -0.43 . . . . 72.510000000000005 109.84 171.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.01 175.43 5.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.821 -0.437 . . . . 74.010000000000005 109.821 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -137.06 154.25 50.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 75.439999999999998 110.748 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' HE1' ' HG3' ' A' ' 13' ' ' GLU . 37.8 t80 -140.77 162.16 36.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.878 -0.601 . . . . 74.329999999999998 110.675 -169.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -137.58 123.76 20.46 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.435 0.694 . . . . 71.540000000000006 109.326 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.48 0.21 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.074 -0.584 . . . . 54.340000000000003 112.584 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 p 179.8 158.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.665 0.386 . . . . 71.099999999999994 109.998 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.555 ' HG3' ' N ' ' A' ' 12' ' ' GLU . 5.6 pt-20 -54.08 -42.19 69.06 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.086 0.241 . . . . 65.340000000000003 111.644 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 9.2 tp10 -61.64 -58.84 6.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.568 0.223 . . . . 75.150000000000006 111.114 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG3' ' HE1' ' A' ' 7' ' ' TYR . 16.1 pt-20 -63.62 -26.45 68.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.037 -0.265 . . . . 75.109999999999999 110.624 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.93 -40.88 87.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.142 0.496 . . . . 53.130000000000003 109.937 171.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -65.03 -40.81 95.39 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 115.738 -0.665 . . . . 75.129999999999995 110.197 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 72.340000000000003 110.24 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.27 -47.47 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.531 -0.544 . . . . 75.209999999999994 109.531 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.27 -39.8 95.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.589 -0.732 . . . . 72.219999999999999 110.476 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.76 -60.52 3.57 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.764 -0.653 . . . . 74.409999999999997 110.254 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.9 mm-40 -57.32 -50.85 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.362 -0.835 . . . . 70.120000000000005 110.884 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 HG12 ' A' ' 29' ' ' VAL . 22.2 tp -58.1 -47.05 84.43 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.993 -0.548 . . . . 71.230000000000004 110.88 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -64.62 -48.01 76.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.787 -0.642 . . . . 73.109999999999999 110.892 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 8.8 ptm180 -72.99 -21.05 60.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.255 -0.43 . . . . 72.030000000000001 110.509 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -79.78 -46.52 16.83 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.238 -0.437 . . . . 74.200000000000003 110.436 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -88.36 162.15 16.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.23 0.538 . . . . 75.349999999999994 111.973 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.73 7.16 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.889 -0.884 . . . . 71.219999999999999 110.889 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.6 m -119.54 -167.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.469 . . . . 65.420000000000002 110.706 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp10 -113.29 120.79 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.175 -1.046 . . . . 65.230000000000004 108.175 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 HD23 ' A' ' 21' ' ' LEU . 95.3 t -114.17 138.66 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.372 0.606 . . . . 72.439999999999998 111.79 -172.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 9.2 tp10 -122.54 146.91 46.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.654 -1.239 . . . . 54.210000000000001 107.654 173.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 18' ' ' ALA . 5.4 p -144.74 145.81 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 71.019999999999996 111.181 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -113.54 130.98 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.131 -0.94 . . . . 74.420000000000002 108.473 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -113.88 135.54 53.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.24 0.459 . . . . 71.019999999999996 112.24 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -113.45 150.06 33.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.868 -1.16 . . . . 74.420000000000002 107.868 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.249 1.059 0 N-CA-C 109.199 -0.667 . . . . 63.43 109.199 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.469 0.652 . . . . 72.299999999999997 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.657 ' HB2' ' HZ1' ' A' ' 2' ' ' LYS . 10.5 mtmp? -99.31 117.19 33.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.381 -0.827 . . . . 72.209999999999994 109.151 169.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -113.93 158.95 20.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.519 0.199 . . . . 65.230000000000004 110.548 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.582 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 33.7 mtp-105 -133.91 119.96 19.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.238 -0.653 . . . . 73.200000000000003 109.238 172.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -120.44 152.61 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.188 -0.301 . . . . 73.150000000000006 110.188 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -113.67 136.0 53.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.78 -0.452 . . . . 75.420000000000002 109.78 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -133.19 146.85 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 73.219999999999999 109.331 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -113.66 119.85 38.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.858 -0.423 . . . . 75.109999999999999 109.858 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.81 36.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.069 -0.586 . . . . 40.329999999999998 112.348 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 p -91.6 175.39 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.237 0.542 . . . . 74.129999999999995 112.035 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.97 -51.76 9.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.811 -1.086 . . . . 74.129999999999995 112.709 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -36.97 82.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 110.211 -0.292 . . . . 74.219999999999999 110.211 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.32 -42.17 98.23 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 73.230000000000004 109.669 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.48 -44.75 96.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.404 -0.816 . . . . 71.140000000000001 110.565 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -61.35 -44.56 96.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.0 -0.545 . . . . 71.109999999999999 110.98 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.12 -60.5 3.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 110.664 178.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -55.18 -44.95 75.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 75.439999999999998 111.042 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 73.450000000000003 111.36 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.42 -45.54 87.1 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.397 -0.365 . . . . 75.510000000000005 110.637 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 68.9 mm-40 -59.45 -49.93 75.91 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.344 0.592 . . . . 62.439999999999998 109.85 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 HD21 HG21 ' A' ' 29' ' ' VAL . 27.0 tp -58.56 -34.76 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.255 -0.884 . . . . 65.319999999999993 110.562 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -69.07 -46.49 67.68 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.086 -0.507 . . . . 65.109999999999999 110.715 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -73.84 -18.79 60.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.981 0.42 . . . . 63.530000000000001 110.587 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -81.29 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 73.129999999999995 111.104 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -113.22 112.65 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.037 -0.528 . . . . 75.209999999999994 110.764 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.41 70.36 1.09 Allowed Glycine 0 C--N 1.332 0.342 0 CA-C-N 116.047 -0.524 . . . . 62.240000000000002 112.04 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 86.4 m -150.35 -162.04 1.47 Allowed 'General case' 0 C--O 1.241 0.607 0 C-N-CA 122.807 0.443 . . . . 73.439999999999998 109.996 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.2 tp10 -113.62 139.87 48.67 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.003 -0.74 . . . . 63.520000000000003 109.003 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 HD21 ' A' ' 21' ' ' LEU . 10.2 p -151.44 143.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.582 0.706 . . . . 71.239999999999995 111.881 -175.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 13.3 tp10 -113.35 134.52 54.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.849 -1.069 . . . . 75.239999999999995 108.232 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 139.44 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.721 -0.474 . . . . 74.129999999999995 109.721 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 143.6 44.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 63.450000000000003 109.425 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -115.22 116.58 28.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.659 0.266 . . . . 42.020000000000003 110.853 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.3 146.7 40.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.065 0.459 . . . . 64.230000000000004 110.725 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.321 -0.854 . . . . 74.140000000000001 109.038 178.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.451 0.167 . . . . 73.400000000000006 111.185 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -80.53 111.03 16.56 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.45 -0.574 . . . . 75.340000000000003 109.45 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.486 ' HB3' HG23 ' A' ' 29' ' ' VAL . 27.3 tt0 -132.29 149.03 52.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 73.129999999999995 110.643 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 32.0 mtp180 -129.53 134.89 48.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.788 -0.642 . . . . 75.219999999999999 109.793 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -129.95 140.15 50.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.967 -0.561 . . . . 74.519999999999996 109.529 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 11.7 ptp180 -113.68 133.92 55.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.303 -0.629 . . . . 71.0 109.303 177.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.9 t80 -130.38 164.86 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.714 -0.676 . . . . 75.040000000000006 110.023 -170.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -121.17 114.07 20.9 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.95 -0.389 . . . . 75.200000000000003 109.95 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.91 -173.02 37.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.898 -0.668 . . . . 73.329999999999998 112.245 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -82.78 168.9 16.73 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.447 0.299 . . . . 73.140000000000001 111.179 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 9.6 pt-20 -57.92 -25.04 60.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.466 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -56.81 -54.06 50.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.339 -0.615 . . . . 75.549999999999997 109.339 172.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.08 -46.28 90.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.456 -0.793 . . . . 73.129999999999995 110.122 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 6.2 m -56.43 -59.65 4.66 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.724 -0.671 . . . . 51.420000000000002 111.224 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -69.73 -36.81 76.19 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.682 -0.69 . . . . 64.310000000000002 111.506 -173.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -67.9 -41.59 82.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.503 0.192 . . . . 73.25 110.669 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.23 -49.93 75.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 74.439999999999998 109.82 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.75 83.53 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.049 -0.523 . . . . 74.230000000000004 110.875 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.39 -54.74 43.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.822 -0.626 . . . . 65.340000000000003 111.216 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.3 -41.37 98.94 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.847 -0.615 . . . . 72.430000000000007 110.945 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 HD21 HG21 ' A' ' 29' ' ' VAL . 4.5 tt -62.14 -48.59 79.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 63.0 109.893 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -65.29 -36.88 85.44 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.029 -0.532 . . . . 53.229999999999997 111.466 -176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -79.24 -26.51 42.45 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.026 -0.269 . . . . 70.530000000000001 110.619 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -74.34 -52.68 11.48 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 71.209999999999994 110.239 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -120.65 124.93 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 73.329999999999998 110.543 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.3 79.39 0.91 Allowed Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.101 -0.5 . . . . 64.310000000000002 112.868 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 1' ' ' CYS . 94.4 m -136.89 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.581 0.352 . . . . 73.420000000000002 110.273 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 2' ' ' LYS . 10.8 pm0 -113.27 100.33 8.48 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.927 0.87 . . . . 75.140000000000001 109.142 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.486 HG23 ' HB3' ' A' ' 3' ' ' GLN . 41.0 t -113.85 139.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 72.120000000000005 110.567 -173.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 10.4 tp10 -113.77 135.62 53.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.677 -0.86 . . . . 74.409999999999997 108.677 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.93 120.01 62.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.587 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 7.9 pt-20 -113.45 114.99 27.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.143 -0.688 . . . . 71.319999999999993 109.143 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 5.1 p -114.43 142.71 46.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.11 0.481 . . . . 65.239999999999995 111.685 -173.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -113.56 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.112 -0.949 . . . . 74.519999999999996 108.632 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.964 -1.017 . . . . 75.319999999999993 110.159 179.353 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.119 0.485 . . . . 61.310000000000002 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 40.0 ttmt -142.33 144.83 33.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 74.040000000000006 110.237 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -152.81 165.33 35.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 72.099999999999994 109.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.604 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -126.58 145.18 50.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.247 0.546 . . . . 74.129999999999995 110.72 173.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -135.92 153.06 51.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.594 -0.891 . . . . 73.209999999999994 108.594 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 17.0 ptt180 -113.4 128.09 56.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.48 0.657 . . . . 71.340000000000003 109.983 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.569 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 66.8 t80 -113.76 167.98 10.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.773 -1.103 . . . . 62.130000000000003 109.193 -172.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 14.0 ptt180 -133.67 125.11 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.627 -0.509 . . . . 72.420000000000002 109.627 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.63 -164.38 32.09 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.93 -0.577 . . . . 63.409999999999997 112.153 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -88.64 173.45 8.61 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.738 0.304 . . . . 74.299999999999997 111.57 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -47.61 -49.97 25.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.82 -0.627 . . . . 72.409999999999997 110.944 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.82 -64.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.272 -0.876 . . . . 62.32 110.972 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -51.08 -47.31 61.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 75.349999999999994 111.115 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.67 -59.49 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.345 -0.843 . . . . 74.120000000000005 111.828 -175.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -70.24 -36.26 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 74.430000000000007 111.257 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HZ1' ' CD ' ' A' ' 20' ' ' GLU . 43.7 tttm -58.01 -51.42 69.74 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.93 0.395 . . . . 61.539999999999999 109.967 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.99 -43.13 77.36 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.644 -0.707 . . . . 75.209999999999994 110.367 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -60.45 3.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.911 -0.586 . . . . 65.340000000000003 111.907 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 8.2 pt-20 -61.26 -45.39 94.73 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.834 0.35 . . . . 74.519999999999996 111.341 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' CD ' ' HZ1' ' A' ' 16' ' ' LYS . 49.6 mt-10 -66.49 -44.25 83.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.288 -0.414 . . . . 61.439999999999998 110.671 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' HD21 ' A' ' 21' ' ' LEU . 6.3 tt -59.57 -45.81 90.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.312 -0.625 . . . . 63.299999999999997 109.312 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -55.48 -60.02 4.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.863 -0.608 . . . . 63.229999999999997 110.732 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' NH2' ' HB2' ' A' ' 19' ' ' GLU . 7.0 ptp180 -66.23 -38.06 87.0 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.317 -0.402 . . . . 70.109999999999999 111.495 -175.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -43.16 86.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.755 0.312 . . . . 71.450000000000003 110.823 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HG1' HD21 ' A' ' 21' ' ' LEU . 23.6 m -78.11 -21.86 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.026 0.441 . . . . 72.030000000000001 110.946 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.64 25.87 73.0 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.074 -0.811 . . . . 61.049999999999997 111.074 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.7 m -129.07 -171.79 2.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.094 -0.553 . . . . 65.450000000000003 110.062 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.8 tp10 -113.61 132.75 55.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.387 -0.597 . . . . 70.129999999999995 109.387 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -128.07 136.54 59.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.348 0.594 . . . . 74.019999999999996 110.6 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.604 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 41.8 tt0 -113.53 115.26 27.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.925 -1.139 . . . . 61.439999999999998 107.925 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG12 ' SG ' ' A' ' 33' ' ' CYS . 61.1 t -113.58 124.26 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.124 0.487 . . . . 63.43 110.935 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 35.4 mt-10 -113.63 118.09 33.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.799 -1.186 . . . . 65.129999999999995 107.799 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 7' ' ' TYR . 88.8 m -113.38 142.03 46.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 73.439999999999998 112.075 -168.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 31.4 mt-10 -131.05 -179.53 5.39 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.689 -1.142 . . . . 45.439999999999998 109.527 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.514 -0.755 . . . . 72.129999999999995 109.78 175.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.758 0.789 . . . . 52.140000000000001 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -93.57 107.87 19.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.001 -1.454 . . . . 72.129999999999995 110.219 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 16.1 mm100 -115.78 127.95 55.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.532 0.682 . . . . 64.329999999999998 110.569 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.3 123.63 10.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.904 -1.044 . . . . 65.310000000000002 108.671 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -129.34 168.42 16.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.096 0.474 . . . . 74.439999999999998 111.399 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.42 HH21 ' CD ' ' A' ' 34' ' ' GLU . 16.0 ptm180 -117.61 138.82 51.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 74.310000000000002 109.823 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 92.9 t80 -145.63 148.4 33.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.943 -0.762 . . . . 75.349999999999994 108.943 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -113.64 132.38 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.983 -0.377 . . . . 72.329999999999998 109.983 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.86 -143.43 10.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.195 -0.526 . . . . 42.350000000000001 112.158 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -103.45 149.58 24.68 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.911 0.386 . . . . 55.5 111.525 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.28 -44.6 53.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.563 -0.744 . . . . 75.450000000000003 111.573 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 4.0 tm-20 -52.37 -51.53 58.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.041 -0.527 . . . . 75.420000000000002 110.61 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.6 -38.6 91.75 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.801 -0.636 . . . . 73.540000000000006 110.73 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.1 m -56.34 -54.46 45.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.473 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -62.75 -40.76 98.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.72 -0.673 . . . . 73.030000000000001 111.234 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 2.2 mptm? -59.19 -50.83 72.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.834 0.349 . . . . 75.530000000000001 110.268 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -59.58 -39.0 82.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.895 -0.593 . . . . 65.540000000000006 110.311 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' HG11 ' A' ' 31' ' ' VAL . . . -67.18 -38.87 86.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.634 -0.712 . . . . 71.319999999999993 110.992 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.95 -43.23 75.44 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.407 -0.36 . . . . 63.009999999999998 110.145 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -58.85 -42.71 89.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 109.977 174.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.82 -41.53 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 72.340000000000003 110.88 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -67.73 -42.68 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 74.420000000000002 110.614 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.466 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 4.1 ptm180 -76.14 -19.42 58.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.733 -0.469 . . . . 71.340000000000003 109.733 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -69.9 -62.26 1.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.732 -0.667 . . . . 75.409999999999997 110.232 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.8 m -124.58 125.69 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.704 -0.225 . . . . 72.129999999999995 110.553 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.43 65.71 2.02 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 116.433 -0.349 . . . . 55.299999999999997 112.991 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.8 m -112.46 -159.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.534 -0.543 . . . . 72.129999999999995 109.534 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -112.86 99.73 8.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.061 -1.459 . . . . 74.25 107.061 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.5 p -128.14 141.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.506 -0.77 . . . . 65.219999999999999 112.114 -166.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -148.78 168.45 22.92 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.323 -0.853 . . . . 71.129999999999995 110.933 170.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 18' ' ' ALA . 7.1 p -137.17 146.1 28.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.484 -1.235 . . . . 73.219999999999999 108.732 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -112.58 158.81 19.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.128 -0.693 . . . . 72.140000000000001 109.128 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 8.9 m -113.43 131.0 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.208 0.528 . . . . 71.049999999999997 111.299 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' CD ' HH21 ' A' ' 6' ' ' ARG . 39.6 mt-10 -115.97 166.02 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 73.439999999999998 109.064 173.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.607 -0.711 . . . . 74.409999999999997 109.207 176.059 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 5.9 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.024 0.44 . . . . 73.219999999999999 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.75 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 10.4 mtmp? -118.19 144.97 45.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.725 -0.472 . . . . 71.439999999999998 109.725 177.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -151.39 148.69 28.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.699 0.285 . . . . 74.140000000000001 110.521 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -113.95 150.26 34.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.804 0.335 . . . . 64.109999999999999 110.589 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.9 mmm180 -141.22 168.34 20.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.714 -0.676 . . . . 75.129999999999995 109.263 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -140.01 135.03 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 72.230000000000004 109.928 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -124.56 141.61 51.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.489 -0.778 . . . . 74.319999999999993 109.3 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.57 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -113.88 136.05 53.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 74.319999999999993 110.84 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.75 -82.46 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.493 -0.643 . . . . 32.039999999999999 111.493 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.3 m -156.36 151.18 26.03 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.94 -0.393 . . . . 52.539999999999999 109.94 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.736 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.9 pt-20 -52.65 -40.15 62.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 54.420000000000002 112.037 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.85 -50.17 74.51 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 71.109999999999999 110.074 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -58.07 -41.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 71.129999999999995 110.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -62.27 -45.21 94.32 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.973 -0.558 . . . . 74.140000000000001 110.455 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 35.5 mtp180 -61.39 -46.47 90.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.554 -0.748 . . . . 71.230000000000004 110.658 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -58.33 -46.07 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 71.430000000000007 110.267 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -57.1 -41.18 78.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.64 -0.709 . . . . 73.310000000000002 110.331 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.73 88.02 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.961 -0.563 . . . . 61.340000000000003 111.385 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 28.2 mm-40 -62.16 -51.73 66.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.072 -0.513 . . . . 75.239999999999995 110.099 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -54.43 -46.55 73.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.67 -0.696 . . . . 74.420000000000002 110.409 176.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -52.65 63.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.298 -0.41 . . . . 74.420000000000002 111.266 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -65.46 -41.57 93.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.985 -0.552 . . . . 71.219999999999999 112.01 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 3.1 ptp180 -75.69 -24.19 56.25 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.728 0.299 . . . . 72.430000000000007 110.963 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 12.1 tpt180 -72.92 -50.69 22.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.046 0.45 . . . . 65.310000000000002 110.073 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -119.31 122.56 42.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.651 -0.704 . . . . 72.019999999999996 110.527 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 80.96 0.08 OUTLIER Glycine 0 C--N 1.335 0.476 0 O-C-N 123.409 0.443 . . . . 64.239999999999995 112.456 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.0 m -153.66 -169.67 3.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.865 0.466 . . . . 70.019999999999996 109.858 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.75 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 8.2 tp10 -112.99 102.34 10.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.695 -0.854 . . . . 74.25 108.695 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -113.68 125.94 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.875 -0.602 . . . . 70.230000000000004 109.965 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.62 131.35 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.879 -0.6 . . . . 52.109999999999999 109.383 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 5' ' ' ARG . 98.5 t -114.12 146.7 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.222 0.534 . . . . 73.140000000000001 110.443 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.25 145.01 41.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.567 -1.272 . . . . 71.519999999999996 107.567 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.736 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 17.0 t -113.67 140.22 48.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.234 0.54 . . . . 64.409999999999997 112.164 -168.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.83 175.13 9.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.134 -0.939 . . . . 74.010000000000005 108.735 175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.453 -0.784 . . . . 64.340000000000003 110.419 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.102 0.477 . . . . 65.430000000000007 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.608 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 59.4 mttp -131.41 137.79 48.81 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.586 -0.734 . . . . 73.409999999999997 110.218 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 53.2 mt-30 -146.3 135.21 22.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 51.149999999999999 110.473 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -121.48 136.05 54.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.902 -0.777 . . . . 74.420000000000002 108.902 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -136.7 146.99 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 74.420000000000002 111.616 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -113.76 118.1 33.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.338 -0.986 . . . . 74.310000000000002 108.338 172.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -113.39 129.22 56.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.708 -0.479 . . . . 74.0 109.708 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.571 ' HG3' ' HB2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -113.47 130.05 56.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.224 -0.444 . . . . 71.439999999999998 109.861 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.4 -80.55 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.947 -0.861 . . . . 71.5 110.947 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.491 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 39.5 m -159.17 164.71 34.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 110.012 -0.366 . . . . 74.439999999999998 110.012 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 16.9 mm-40 -53.13 -60.05 3.77 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.612 0.57 . . . . 75.109999999999999 111.511 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.37 -40.38 82.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.517 -0.31 . . . . 74.310000000000002 111.009 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.491 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 10.7 mm-40 -58.6 -49.25 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 74.140000000000001 110.068 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.06 -49.58 76.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.177 -0.92 . . . . 35.210000000000001 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 96.8 mtt180 -61.97 -46.75 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 70.409999999999997 110.562 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.79 -39.72 89.94 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.145 -0.48 . . . . 64.540000000000006 110.819 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.51 -48.11 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.909 0.385 . . . . 72.299999999999997 110.148 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -45.93 84.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.599 -0.728 . . . . 74.150000000000006 110.427 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 14.9 tp10 -59.46 -52.37 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 64.230000000000004 110.542 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -51.58 -54.02 32.0 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.133 -0.485 . . . . 61.350000000000001 110.766 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD22 HG22 ' A' ' 29' ' ' VAL . 30.8 tp -62.59 -39.36 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 64.409999999999997 110.78 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -68.78 -44.89 72.7 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.079 -0.509 . . . . 53.420000000000002 111.092 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.77 -26.87 55.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.719 0.295 . . . . 73.120000000000005 111.078 -178.104 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 45.3 ttp180 -77.81 -47.38 19.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.05 0.452 . . . . 74.230000000000004 110.524 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -126.67 112.99 16.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 71.430000000000007 110.528 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 74.04 0.45 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.99 -0.55 . . . . 72.540000000000006 112.334 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.9 m -120.18 -164.26 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.596 0.358 . . . . 64.129999999999995 110.419 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.608 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 7.8 tp10 -113.29 103.17 11.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.657 -0.868 . . . . 61.119999999999997 108.657 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.626 HG22 HD22 ' A' ' 21' ' ' LEU . 7.3 p -118.41 145.33 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 111.851 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -133.13 119.3 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.433 -0.803 . . . . 62.420000000000002 109.102 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.06 143.96 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.956 -0.387 . . . . 60.130000000000003 109.956 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.58 148.18 36.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.117 -0.697 . . . . 75.129999999999995 109.117 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.6 m -113.5 119.12 36.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 65.129999999999995 110.414 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.571 ' HB2' ' HG3' ' A' ' 8' ' ' ARG . 41.5 mt-10 -130.84 179.82 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.729 -0.669 . . . . 75.409999999999997 110.195 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.756 -0.64 . . . . 51.340000000000003 109.553 177.557 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.94 0.4 . . . . 65.519999999999996 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -115.67 130.14 56.75 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.135 -0.691 . . . . 74.209999999999994 109.135 171.616 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -113.95 150.89 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 74.140000000000001 111.242 -171.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.451 ' HD2' ' HB3' ' A' ' 30' ' ' GLU . 12.3 mmm180 -127.48 113.52 16.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 70.310000000000002 109.161 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.3 mmt180 -128.89 159.87 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.37 0.605 . . . . 73.129999999999995 111.105 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -132.31 141.81 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.65 -0.87 . . . . 74.239999999999995 108.65 172.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 13' ' ' GLU . 13.9 t80 -131.68 127.12 36.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.428 -0.582 . . . . 74.340000000000003 109.428 -177.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -113.61 130.26 56.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 75.409999999999997 110.283 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.68 -61.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.172 -0.771 . . . . 64.329999999999998 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.8 p -175.88 171.77 2.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 110.206 -0.294 . . . . 73.239999999999995 110.206 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -56.65 -46.59 80.96 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.103 -0.498 . . . . 61.109999999999999 110.055 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.61 -59.39 4.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 64.439999999999998 110.061 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 7.8 mm-40 -57.06 -53.0 63.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.228 -0.896 . . . . 62.049999999999997 111.942 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.65 -48.88 68.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 72.450000000000003 111.751 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -66.5 -38.06 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 70.109999999999999 111.021 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -64.39 -45.51 87.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.743 0.306 . . . . 74.319999999999993 110.256 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -55.0 -46.98 75.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.947 -0.569 . . . . 74.340000000000003 110.377 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.46 81.23 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.035 -0.53 . . . . 62.100000000000001 111.364 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -57.64 11.93 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.452 0.644 . . . . 52.030000000000001 109.638 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.32 -40.47 77.98 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.335 -0.848 . . . . 65.450000000000003 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.696 ' HB3' HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -57.8 -54.34 47.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.866 0.365 . . . . 73.129999999999995 110.428 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -60.29 -45.0 94.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 42.039999999999999 111.276 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -79.99 -40.36 28.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.108 0.411 . . . . 64.540000000000006 112.108 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -82.38 -46.3 13.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.899 0.38 . . . . 63.439999999999998 111.644 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.1 m -75.83 126.59 31.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 75.340000000000003 111.315 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -77.51 62.37 3.48 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.833 -0.507 . . . . 51.130000000000003 111.833 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 57.0 m -164.98 -169.07 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.478 0.711 . . . . 75.319999999999993 109.379 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 47.5 tt0 -113.28 141.54 46.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.486 -0.931 . . . . 72.340000000000003 108.486 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 21' ' ' LEU . 10.1 p -146.12 148.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.923 0.392 . . . . 62.350000000000001 111.282 -173.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -131.67 138.83 48.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.65 -1.241 . . . . 72.540000000000006 107.65 175.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 61.8 t -135.27 145.69 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 111.346 -171.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -113.22 148.63 35.1 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.98 -0.555 . . . . 72.510000000000005 110.093 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.0 m -114.08 123.59 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 61.119999999999997 111.231 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.47 168.65 16.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.448 -0.575 . . . . 75.349999999999994 109.448 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.909 -0.567 . . . . 64.510000000000005 110.362 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 121.233 0.54 . . . . 75.540000000000006 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 93.0 mttt -114.52 133.53 55.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.032 -0.729 . . . . 74.409999999999997 109.032 174.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -133.81 146.82 51.01 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.95 0.405 . . . . 73.340000000000003 111.574 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 30' ' ' GLU . 21.1 mmt180 -117.75 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.614 -0.721 . . . . 70.030000000000001 109.644 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -118.87 164.8 14.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.558 -0.292 . . . . 71.049999999999997 110.567 -179.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -113.68 133.3 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.184 0.516 . . . . 72.120000000000005 110.453 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 29.7 t80 -131.88 130.14 41.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.966 -1.124 . . . . 72.329999999999998 107.966 175.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 29.3 ptt180 -113.55 134.96 54.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 73.140000000000001 110.198 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.15 -131.21 5.6 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 115.894 -0.593 . . . . 23.210000000000001 112.088 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 16.3 m -84.67 131.81 34.54 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.787 0.327 . . . . 51.340000000000003 110.965 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.93 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.7 pt-20 -64.2 -28.61 69.87 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.123 -0.49 . . . . 74.230000000000004 110.427 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.32 -48.43 78.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 109.527 -0.545 . . . . 64.239999999999995 109.527 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mm-40 -64.95 -40.85 95.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.342 -0.845 . . . . 72.120000000000005 110.434 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 7' ' ' TYR . 64.0 m -57.05 -43.78 82.36 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.828 -0.624 . . . . 60.229999999999997 110.717 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -67.49 -46.52 72.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.274 -0.421 . . . . 73.310000000000002 110.647 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 54.5 mtpt -53.06 -52.0 59.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.985 -0.552 . . . . 71.230000000000004 110.618 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.42 -49.51 76.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.095 -0.957 . . . . 72.129999999999995 111.317 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . -54.14 -51.11 65.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.092 0.472 . . . . 75.439999999999998 111.145 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -64.02 -50.27 69.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.772 -0.649 . . . . 73.230000000000004 111.242 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 21' ' ' LEU . 12.2 pt-20 -61.26 -49.35 77.44 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.735 0.302 . . . . 74.430000000000007 110.559 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 45.0 tp -60.69 -37.42 81.56 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.045 -0.525 . . . . 70.150000000000006 110.217 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -58.38 -57.78 11.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.813 -0.63 . . . . 74.099999999999994 110.381 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' HD2' ' C ' ' A' ' 23' ' ' ARG . 5.9 ppt_? -73.84 -19.24 60.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.807 0.336 . . . . 71.540000000000006 111.325 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -70.89 -52.65 18.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.212 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -75.35 -42.09 55.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 70.420000000000002 111.271 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.09 -15.9 59.95 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 111.375 -0.69 . . . . 74.530000000000001 111.375 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.1 m -83.84 -164.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.65 0.38 . . . . 34.450000000000003 110.012 176.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 13.4 tp10 -113.67 127.24 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.545 -0.539 . . . . 52.240000000000002 109.545 175.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -151.16 124.09 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.822 -0.626 . . . . 62.039999999999999 109.972 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -125.9 147.71 49.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.606 -0.887 . . . . 74.450000000000003 108.606 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG12 ' HB2' ' A' ' 5' ' ' ARG . 7.0 m -113.89 165.43 8.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.239 0.542 . . . . 70.340000000000003 109.842 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.49 143.0 45.25 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.114 -1.069 . . . . 65.120000000000005 108.114 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.93 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 5.5 t -113.31 110.42 20.33 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.352 -0.61 . . . . 60.310000000000002 109.352 -173.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 26.6 mt-10 -137.82 -178.93 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.549 -0.751 . . . . 70.239999999999995 110.378 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.33 -0.843 . . . . 72.519999999999996 109.477 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.22 0.533 . . . . 75.420000000000002 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 95.6 mttt -125.1 123.98 40.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.533 -0.758 . . . . 72.299999999999997 109.687 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -114.59 163.95 14.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 72.319999999999993 110.169 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 6.1 ptp180 -137.48 133.71 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.02 -0.733 . . . . 72.010000000000005 109.02 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.576 ' HD3' HD11 ' A' ' 21' ' ' LEU . 67.2 mtp85 -147.66 177.11 9.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.69 0.281 . . . . 73.010000000000005 111.007 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' H ' ' HD2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -131.75 152.8 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 74.310000000000002 110.722 -177.137 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' HE1' ' HB3' ' A' ' 13' ' ' GLU . 24.1 t80 -153.55 171.71 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.487 -0.931 . . . . 72.239999999999995 108.487 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -141.13 135.7 31.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.426 -0.213 . . . . 73.299999999999997 110.426 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.78 -152.82 24.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.049 -0.595 . . . . 75.019999999999996 112.669 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -101.62 179.33 4.37 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.068 0.461 . . . . 64.409999999999997 111.416 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.47 -43.15 75.24 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.368 -0.833 . . . . 73.329999999999998 111.774 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.07 -48.68 77.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.193 0.52 . . . . 64.129999999999995 110.105 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.453 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 36.7 mt-10 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.005 -0.998 . . . . 74.430000000000007 110.636 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.92 -52.12 66.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 111.063 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -60.36 -58.6 7.82 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.06 -0.518 . . . . 65.439999999999998 110.722 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -48.17 -53.12 17.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.415 -0.811 . . . . 75.409999999999997 111.289 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 84.4 t80 -57.2 -53.68 55.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 74.010000000000005 111.11 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.16 80.84 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.032 -0.531 . . . . 74.310000000000002 111.904 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.32 -48.98 75.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 54.530000000000001 110.648 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.91 -41.15 91.08 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 110.391 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD11 ' HD3' ' A' ' 5' ' ' ARG . 3.8 tt -57.74 -50.77 72.11 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.821 -0.627 . . . . 74.019999999999996 109.975 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.406 ' OG ' HG11 ' A' ' 29' ' ' VAL . 19.2 m -60.83 -56.56 19.77 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.957 -0.565 . . . . 65.510000000000005 111.307 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.99 -25.44 67.09 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.992 -0.549 . . . . 73.129999999999995 111.695 -174.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -80.17 -58.55 3.09 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 71.140000000000001 110.776 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -66.04 -21.05 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 73.230000000000004 111.44 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.06 47.25 24.95 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.749 -0.94 . . . . 71.109999999999999 110.749 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -150.87 -175.44 5.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.056 -0.572 . . . . 61.43 110.551 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.7 tp10 -113.49 140.73 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.852 -1.166 . . . . 74.549999999999997 107.852 171.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG11 ' OG ' ' A' ' 22' ' ' SER . 11.7 p -141.92 142.33 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.266 0.555 . . . . 74.25 111.49 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.7 mt-10 -113.79 120.83 42.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.803 -0.814 . . . . 65.109999999999999 108.803 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.84 144.87 23.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.664 -0.698 . . . . 65.25 109.537 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -112.93 142.22 45.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.164 -0.68 . . . . 71.340000000000003 109.164 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.0 m -113.49 135.39 53.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.311 0.577 . . . . 73.010000000000005 111.357 -172.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -119.89 174.17 6.61 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.227 -0.897 . . . . 74.340000000000003 109.867 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.565 -0.731 . . . . 73.409999999999997 109.577 -178.14 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.493 0.663 . . . . 45.329999999999998 110.273 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.3 tmmm? -120.21 110.65 16.85 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.11 -1.07 . . . . 74.200000000000003 108.11 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 24.1 tt0 -128.95 161.28 30.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.363 -0.38 . . . . 71.549999999999997 110.424 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.6 ttp180 -135.73 144.76 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.671 0.272 . . . . 64.439999999999998 110.482 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -136.54 174.3 10.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.097 -0.501 . . . . 64.430000000000007 110.339 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -129.51 125.62 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.03 -0.359 . . . . 71.519999999999996 110.03 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -113.82 158.55 20.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.619 -0.882 . . . . 73.400000000000006 108.619 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -113.62 124.71 52.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 73.430000000000007 110.251 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 -141.01 7.98 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 116.008 -0.542 . . . . 62.439999999999998 111.953 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -108.35 169.56 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.218 -0.29 . . . . 73.209999999999994 110.218 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -36.35 83.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.452 -0.34 . . . . 75.409999999999997 111.143 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.93 -51.55 65.74 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.478 0.656 . . . . 74.450000000000003 110.13 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.51 -39.12 92.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.27 -0.877 . . . . 62.210000000000001 110.414 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.76 -46.52 88.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.501 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.57 -54.31 34.07 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.0 -0.545 . . . . 75.510000000000005 110.959 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -56.57 -46.12 80.94 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.718 0.294 . . . . 51.25 110.619 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -57.21 -48.58 78.44 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.846 -0.615 . . . . 73.409999999999997 110.788 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.79 89.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.392 -0.367 . . . . 64.519999999999996 111.256 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.25 -51.8 61.83 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.246 0.546 . . . . 71.239999999999995 109.62 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 47.8 mt-10 -62.99 -40.38 97.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 73.230000000000004 110.613 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.65 -44.29 97.25 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.774 -0.648 . . . . 63.329999999999998 110.202 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -63.68 -51.67 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 65.340000000000003 110.716 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.6 ptp180 -66.78 -30.63 70.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.651 0.262 . . . . 72.340000000000003 110.86 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.25 -49.46 64.32 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.853 0.358 . . . . 72.329999999999998 110.093 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.4 p -74.19 -29.15 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 61.539999999999999 110.697 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.38 79.44 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-N 115.962 -0.563 . . . . 60.109999999999999 111.887 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 73.0 m -127.48 -159.11 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.617 0.367 . . . . 72.329999999999998 110.018 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 36.4 tt0 -113.69 113.82 25.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.083 0.468 . . . . 73.200000000000003 110.22 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 43.4 t -127.08 137.36 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 65.349999999999994 110.522 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 46.7 tt0 -113.73 152.56 30.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.871 -0.789 . . . . 73.239999999999995 108.871 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.76 148.06 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 72.030000000000001 110.359 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.89 163.61 14.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.79 -0.818 . . . . 62.310000000000002 108.79 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.38 125.77 54.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.166 0.508 . . . . 73.340000000000003 110.953 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.97 164.44 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 74.129999999999995 109.332 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.937 -0.554 . . . . 72.420000000000002 110.47 178.044 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 25.7 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.047 0.451 . . . . 52.32 110.455 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -112.74 128.44 56.42 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.426 -0.583 . . . . 71.340000000000003 109.426 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -122.98 130.41 52.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.171 0.51 . . . . 73.0 110.034 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -115.84 117.89 31.46 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.318 -0.993 . . . . 72.25 108.318 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HB2' HG22 ' A' ' 31' ' ' VAL . 35.1 mmt180 -113.39 138.29 50.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 72.409999999999997 111.193 -170.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -113.75 103.27 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.384 -0.969 . . . . 65.209999999999994 108.384 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -113.59 148.46 36.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.165 -173.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -117.82 112.26 20.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 73.340000000000003 109.974 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.3 179.39 43.13 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.686 -0.688 . . . . 22.539999999999999 111.389 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -83.39 171.04 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.582 0.23 . . . . 73.439999999999998 110.991 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -46.82 -41.66 15.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.778 -0.646 . . . . 74.019999999999996 112.019 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.95 -52.4 56.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.641 -0.254 . . . . 70.319999999999993 110.569 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.6 -42.14 70.76 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.956 0.408 . . . . 72.120000000000005 110.345 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.9 m -56.74 -54.16 49.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.666 -0.697 . . . . 73.420000000000002 110.768 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -60.6 -44.68 95.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.448 -0.342 . . . . 75.420000000000002 111.294 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.94 -59.53 4.97 Favored 'General case' 0 N--CA 1.422 -1.833 0 C-N-CA 123.695 0.798 . . . . 72.040000000000006 110.918 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.06 -47.6 85.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.403 -0.817 . . . . 72.349999999999994 110.925 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.7 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.975 -0.557 . . . . 64.430000000000007 111.421 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.87 -46.15 69.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.494 -0.321 . . . . 71.219999999999999 110.705 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.04 -47.56 74.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.942 0.401 . . . . 74.430000000000007 110.753 176.408 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.91 -50.21 71.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.026 -0.534 . . . . 72.310000000000002 110.24 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -64.92 -34.19 77.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.939 -0.573 . . . . 74.420000000000002 111.306 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 6.5 ptm180 -82.07 -25.09 34.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.072 0.463 . . . . 74.329999999999998 109.922 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.48 -48.57 66.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.77 -0.65 . . . . 74.420000000000002 110.502 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -111.76 117.73 33.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 70.109999999999999 111.217 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.89 77.85 0.15 Allowed Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.129 -0.487 . . . . 13.34 111.977 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 1.7 m -151.23 -165.54 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.886 0.474 . . . . 45.039999999999999 110.201 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -113.35 110.86 21.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.212 -0.662 . . . . 74.420000000000002 109.212 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.21 126.7 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.026 -0.534 . . . . 71.140000000000001 110.902 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -114.45 122.81 47.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.071 -0.714 . . . . 75.230000000000004 109.071 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 5' ' ' ARG . 57.2 t -116.69 133.91 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.779 0.323 . . . . 75.5 111.011 -176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.2 156.91 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.024 -0.732 . . . . 72.040000000000006 109.024 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.7 m -126.17 138.24 53.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.101 0.477 . . . . 74.450000000000003 112.031 -172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -133.37 -179.81 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.669 -0.864 . . . . 74.140000000000001 108.669 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.73 -0.652 . . . . 74.230000000000004 110.629 -178.586 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 2.2 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.407 0.622 . . . . 54.52 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 67.9 mttm -122.97 95.16 4.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.17 -0.923 . . . . 72.23 108.554 174.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -114.06 174.26 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.703 -0.48 . . . . 62.03 109.703 -171.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.573 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 6.2 ptp85 -150.12 152.72 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 75.51 112.008 -177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.04 161.48 33.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.362 -0.836 . . . . 74.42 110.073 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 6' ' ' ARG . 45.9 mtm180 -113.54 112.76 24.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.203 -0.665 . . . . 70.3 109.203 173.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -113.55 145.12 41.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.387 -0.824 . . . . 71.35 110.266 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -114.07 131.15 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.172 -0.306 . . . . 71.22 110.172 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.53 -158.74 30.57 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.624 -0.59 . . . . 72.12 111.624 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -79.62 152.58 29.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.251 -0.277 . . . . 65.33 110.251 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.7 mt-10 -48.43 -50.43 31.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.85 0.46 . . . . 74.12 110.841 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.35 -44.56 92.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 62.25 110.815 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.19 -37.34 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.639 . . . . 74.43 110.452 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -65.6 -42.21 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 74.13 110.167 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 24.6 mmm180 -67.74 -35.91 79.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 74.14 110.348 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 3.5 tppp? -71.94 -40.34 68.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.787 -0.642 . . . . 71.23 109.602 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -59.23 -44.49 92.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.444 -0.798 . . . . 72.14 109.534 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.12 46.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.282 -0.872 . . . . 65.51 111.662 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.0 pt-20 -62.84 -44.2 96.76 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.486 -0.325 . . . . 54.22 110.738 -176.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.1 -52.24 66.35 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.502 -0.317 . . . . 75.22 110.643 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 29' ' ' VAL . 4.1 mt -57.91 -44.0 86.56 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.206 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -69.27 -35.66 76.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.459 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 23' ' ' ARG . 5.3 ptp180 -82.17 -31.11 30.62 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.776 0.322 . . . . 63.01 110.697 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -68.67 -47.57 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.205 0.526 . . . . 72.01 110.134 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -95.2 133.87 38.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.481 -0.781 . . . . 73.42 109.873 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.04 56.74 3.15 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.162 -0.542 . . . . 32.5 111.839 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 93.6 m -154.0 -169.73 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.175 -0.676 . . . . 55.01 109.175 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 36.8 tt0 -113.77 126.75 55.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.565 -0.531 . . . . 62.53 109.565 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 21' ' ' LEU . 60.6 t -125.85 137.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.989 -0.55 . . . . 72.22 109.832 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 33.2 tt0 -113.75 143.8 44.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.812 -0.81 . . . . 74.04 108.812 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.61 146.3 29.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.26 0.552 . . . . 74.53 110.501 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -112.8 139.88 48.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.6 -1.259 . . . . 73.05 107.6 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -113.5 113.94 25.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.986 0.422 . . . . 35.11 110.864 -170.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.03 156.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.734 . . . . 63.31 109.167 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.601 -0.714 . . . . 70.41 109.962 -179.044 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.05 0.452 . . . . 72.45 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 65.6 mttp -108.07 133.36 52.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.26 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -137.53 163.81 30.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.258 -0.428 . . . . 74.43 109.976 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 30' ' ' GLU . 55.1 mtp85 -146.22 133.44 20.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.846 0.355 . . . . 71.44 110.588 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -114.91 -179.96 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 60.11 109.575 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -131.79 153.07 50.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.868 0.366 . . . . 74.12 110.731 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.23 140.2 23.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 64.34 109.385 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -113.84 133.34 55.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.895 0.379 . . . . 75.43 110.758 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.78 -137.44 5.08 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.324 -0.71 . . . . 63.32 111.324 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -96.31 152.04 18.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.164 -0.31 . . . . 44.34 110.164 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -49.81 -44.92 49.5 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.417 -0.356 . . . . 71.05 111.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.74 -50.85 67.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.057 -0.52 . . . . 71.1 110.189 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.11 -43.72 91.94 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.642 -0.708 . . . . 73.33 110.461 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.24 -48.25 82.31 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.871 -0.604 . . . . 75.33 110.87 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -67.62 -42.34 82.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 74.31 111.611 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -67.49 -38.86 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.944 -0.302 . . . . 72.31 110.836 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.7 -42.88 97.92 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.315 -0.624 . . . . 65.01 109.315 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . . . -59.51 -46.55 88.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.773 -0.648 . . . . 74.33 110.956 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.85 -51.61 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.757 -0.656 . . . . 74.22 110.772 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.8 -44.38 90.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 70.22 110.83 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 tp -64.85 -38.31 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.308 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.3 t -64.04 -45.94 86.64 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.767 -0.651 . . . . 75.35 110.886 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.09 -25.65 52.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.253 -0.431 . . . . 71.43 111.049 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -75.91 -48.53 20.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 72.52 111.39 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -77.64 136.6 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 62.2 111.451 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -79.28 60.83 4.23 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 111.829 -0.508 . . . . 72.44 111.829 176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 18.0 m -169.16 -164.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.308 0.643 . . . . 64.54 109.734 -177.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.5 tp10 -113.6 99.89 8.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.351 -0.981 . . . . 73.11 108.351 173.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.04 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 75.02 110.592 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.794 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 38.6 mt-10 -118.17 -179.71 3.85 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.812 0.815 . . . . 74.21 110.798 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 93.4 t -139.7 154.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-N 114.035 -1.439 . . . . 71.12 109.858 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -113.13 149.63 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.131 -1.063 . . . . 65.44 108.131 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.6 t -113.48 126.59 55.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 74.01 110.684 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.31 -179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.929 -0.767 . . . . 54.25 108.929 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 110.116 -0.328 . . . . 72.54 110.116 177.375 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.19 -0.3 . . . . 72.41 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.9 tppt? -122.35 137.05 54.99 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.657 0.383 . . . . 63.03 109.997 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.911 -0.774 . . . . 74.11 108.911 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.611 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 75.6 mtp180 -113.96 127.94 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.796 0.331 . . . . 74.31 110.494 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -132.26 153.64 50.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.089 -0.505 . . . . 74.3 110.464 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -113.71 125.98 54.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.765 -0.828 . . . . 54.2 108.765 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 51.6 t80 -131.04 154.56 48.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.782 -0.644 . . . . 75.54 109.714 -168.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 5.5 ptm180 -113.82 129.39 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.599 -0.519 . . . . 63.23 109.599 174.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.06 167.95 28.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.582 -0.818 . . . . 70.42 112.937 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 12.8 m -62.22 158.94 15.88 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.464 0.306 . . . . 72.42 110.403 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.1 mt-10 -49.04 -46.66 44.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.962 0.411 . . . . 73.33 110.471 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 46.6 mt-10 -57.58 -49.76 75.34 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.631 -0.713 . . . . 74.34 111.013 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 33.0 mm-40 -56.86 -39.98 75.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.13 0.491 . . . . 73.31 110.126 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -63.81 -41.7 97.84 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.4 -0.818 . . . . 74.42 110.237 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 23.9 mmt180 -60.82 -53.43 57.39 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.238 0.542 . . . . 71.45 110.231 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 27.9 mtpp -57.97 -48.01 81.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.998 -1.001 . . . . 74.23 110.772 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.42 -45.57 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.921 -0.581 . . . . 73.14 110.473 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.2 71.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 64.42 110.949 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.32 -51.71 66.56 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.463 -0.335 . . . . 70.44 110.489 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -50.67 -49.74 56.49 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.047 -0.524 . . . . 72.33 111.176 -178.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -71.12 -37.62 72.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.228 -0.442 . . . . 64.0 110.709 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -66.58 -37.71 85.5 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.44 -0.346 . . . . 70.13 110.704 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -81.99 -33.51 30.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.652 0.263 . . . . 74.42 110.575 178.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -64.33 -48.5 75.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.079 -0.51 . . . . 72.02 110.826 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.8 p -105.38 131.84 52.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 60.24 110.529 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.65 72.63 0.82 Allowed Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.985 -0.446 . . . . 23.51 111.985 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.8 m -155.64 -166.1 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.831 0.452 . . . . 70.34 109.892 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 10.8 tp10 -113.6 126.16 54.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.818 -1.179 . . . . 75.13 107.818 174.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -113.95 141.39 30.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.274 0.559 . . . . 75.44 110.9 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.611 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 23.5 tt0 -134.57 115.6 14.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.117 -0.947 . . . . 74.5 108.919 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 33' ' ' CYS . 60.6 t -113.68 132.48 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 60.2 110.31 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.66 114.82 26.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.612 -1.255 . . . . 64.33 107.612 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -113.24 134.99 54.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 62.23 112.037 -165.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 30.6 mt-10 -131.7 -179.5 5.42 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.132 -0.94 . . . . 65.24 109.499 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.606 -0.712 . . . . 73.53 109.418 171.084 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.47 0.652 . . . . 73.21 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 62.9 tttp -129.01 130.3 46.46 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.104 -0.953 . . . . 63.41 109.497 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -138.33 147.85 43.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 9.6 ptm180 -113.82 141.56 47.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 63.02 110.12 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 31' ' ' VAL . 1.3 mmp_? -132.85 164.81 26.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 73.52 109.576 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -131.91 119.11 20.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.192 -0.67 . . . . 74.33 109.192 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.7 t80 -117.87 152.53 35.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.307 -0.627 . . . . 74.44 109.307 -175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.27 144.58 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.228 -0.286 . . . . 64.34 110.228 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -64.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.064 -0.815 . . . . 64.03 111.064 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -169.46 143.76 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.204 -0.665 . . . . 75.41 109.204 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 35.2 mt-10 -50.01 -36.13 27.37 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.733 0.302 . . . . 75.42 111.309 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 43.1 tt0 -64.24 -60.33 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.179 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.2 -26.7 68.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.86 0.362 . . . . 73.45 110.353 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.39 -53.22 38.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.037 -0.529 . . . . 72.34 110.897 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.99 -35.05 79.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.693 -0.403 . . . . 74.14 110.402 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.1 mmmm -58.23 -55.26 37.33 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.429 -0.582 . . . . 65.4 109.429 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 t80 -49.26 -47.93 46.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.626 -0.715 . . . . 61.33 110.151 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 -63.36 1.33 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.661 -0.699 . . . . 72.33 112.085 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.93 -35.58 81.63 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.774 0.321 . . . . 73.1 111.194 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 48.6 mt-10 -70.85 -33.8 71.01 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.75 0.31 . . . . 63.24 110.399 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG11 ' A' ' 29' ' ' VAL . 4.6 tt -64.23 -41.91 96.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.829 -0.804 . . . . 65.11 108.829 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 t -70.51 -33.28 71.03 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.708 -0.678 . . . . 64.12 111.627 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.4 ptm180 -76.62 -31.92 57.72 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.923 -0.399 . . . . 72.44 109.923 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -67.93 -71.61 0.2 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.241 0.543 . . . . 75.23 110.283 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 m -91.63 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.63 -0.714 . . . . 71.55 110.15 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.11 73.86 0.38 Allowed Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.212 -0.518 . . . . 75.11 112.476 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -152.29 173.65 14.76 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.988 0.423 . . . . 65.23 110.566 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 35.3 tt0 -113.86 115.16 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.822 -0.807 . . . . 72.01 108.822 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 21' ' ' LEU . 7.5 p -113.69 128.53 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 75.02 109.903 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 39.7 tt0 -113.62 112.68 23.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.739 -0.838 . . . . 74.04 108.739 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 5' ' ' ARG . 59.8 t -113.77 143.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.015 0.436 . . . . 61.31 110.86 -172.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.1 139.43 48.72 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.095 -1.076 . . . . 64.42 108.095 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 38.3 t -113.77 137.18 52.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.115 0.483 . . . . 62.32 112.017 -169.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.2 -179.87 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 73.33 108.612 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.803 -0.618 . . . . 74.24 110.025 176.808 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 49.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.851 0.358 . . . . 60.21 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -112.83 118.13 34.08 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.423 -0.584 . . . . 73.05 109.423 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -113.37 127.64 56.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 72.02 110.186 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -115.72 107.13 14.69 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.529 -1.286 . . . . 71.23 107.529 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.81 154.05 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.538 . . . . 65.54 111.812 -166.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -119.15 110.66 17.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.006 -0.997 . . . . 55.12 109.046 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -119.58 142.91 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.464 -0.939 . . . . 73.05 108.464 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -122.7 141.13 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 75.51 111.247 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.08 -89.08 0.14 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.132 -0.787 . . . . 63.23 111.132 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -152.95 149.45 28.24 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.401 -0.592 . . . . 70.03 109.401 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.95 -29.94 44.71 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.277 0.361 . . . . 71.21 110.566 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -55.71 -61.64 2.23 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.008 -0.542 . . . . 71.22 110.0 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.27 -44.36 75.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.682 -0.69 . . . . 73.04 110.937 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.2 m -66.03 -43.26 88.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.623 -0.717 . . . . 45.4 111.472 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -75.06 -27.16 59.88 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 122.491 -0.13 . . . . 62.24 110.951 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -65.76 -46.9 77.07 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.713 -0.477 . . . . 72.34 109.713 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -57.68 -48.19 80.23 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.581 -0.736 . . . . 70.31 109.977 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.36 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.747 -0.66 . . . . 44.55 111.258 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.88 -60.89 2.83 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.953 -0.567 . . . . 73.23 110.668 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.92 -43.62 81.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 60.54 111.175 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -62.67 -50.25 71.9 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.97 0.414 . . . . 72.42 110.417 -177.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -64.85 -38.31 90.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.951 -0.568 . . . . 61.42 111.308 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.14 -21.75 36.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.053 -0.259 . . . . 71.2 110.922 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -73.11 -53.05 12.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.99 0.424 . . . . 62.02 110.329 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.8 p -117.61 135.76 53.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 71.15 110.597 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.35 68.82 0.9 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.298 -0.477 . . . . 64.24 112.068 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 5.9 t -136.6 177.85 7.53 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.467 -0.568 . . . . 63.43 109.467 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -113.88 118.47 34.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 72.02 110.111 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 21' ' ' LEU . 5.8 p -135.29 126.8 46.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 52.42 110.882 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.91 132.93 55.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.797 -0.816 . . . . 71.41 108.797 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.4 137.07 55.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.213 -0.449 . . . . 43.22 110.137 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.05 140.71 47.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.842 -0.799 . . . . 73.45 108.842 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.73 123.46 49.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.922 -167.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.73 160.04 19.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.011 -0.54 . . . . 53.33 109.669 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.483 -0.77 . . . . 61.14 109.955 179.036 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.566 0.222 . . . . 61.21 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -129.47 86.73 2.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.189 -1.041 . . . . 74.45 108.189 168.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 7.4 tt0 -141.29 153.34 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.497 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 86.5 mtt180 -126.03 164.79 20.07 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.019 0.437 . . . . 72.1 111.645 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -138.66 157.85 45.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.416 -0.811 . . . . 75.11 109.818 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -116.39 117.75 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.594 -0.521 . . . . 70.11 109.594 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.546 ' HD1' ' SG ' ' A' ' 14' ' ' CYS . 73.6 t80 -113.89 145.03 42.06 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.531 . . . . 74.03 109.565 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -120.19 129.28 54.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.087 0.47 . . . . 72.43 110.419 -179.337 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.27 -118.86 0.88 Allowed Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 111.547 -0.621 . . . . 23.43 111.547 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -111.54 146.34 37.48 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.755 0.312 . . . . 63.41 110.901 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.53 -35.65 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.708 -0.678 . . . . 75.31 110.404 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.06 -56.65 16.03 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.934 -0.576 . . . . 75.13 110.615 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.43 -47.1 86.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.442 -0.799 . . . . 75.42 110.087 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.546 ' SG ' ' HD1' ' A' ' 7' ' ' TYR . 58.7 m -59.02 -50.21 74.95 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.542 -0.754 . . . . 54.44 111.419 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.38 -54.58 30.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.484 -0.325 . . . . 73.51 110.973 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.16 -41.67 88.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.397 -0.365 . . . . 72.4 111.271 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.41 -43.87 96.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 74.35 110.203 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.32 48.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.664 -0.698 . . . . 75.14 111.127 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 7.6 pt-20 -64.76 -44.09 91.21 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.558 -0.292 . . . . 75.3 111.292 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.5 mt-10 -56.97 -53.29 59.71 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.088 0.47 . . . . 64.43 110.369 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.35 -39.24 92.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 74.31 110.597 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -70.24 -34.49 72.92 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.059 -0.519 . . . . 65.44 111.299 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.43 -25.32 33.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.923 0.392 . . . . 65.51 110.455 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -70.37 -53.43 16.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.875 -0.602 . . . . 71.44 109.805 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -93.62 121.69 35.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.447 -0.797 . . . . 74.23 109.86 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.21 65.87 1.25 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.249 -0.5 . . . . 73.52 112.813 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -157.55 -167.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.319 -0.623 . . . . 74.11 109.319 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -113.34 99.82 8.08 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.808 0.813 . . . . 74.35 110.669 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.7 p -120.99 123.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.016 -0.993 . . . . 75.33 109.295 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 35.5 tt0 -114.14 148.34 37.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.957 -0.565 . . . . 63.43 110.052 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.28 141.73 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.428 -0.582 . . . . 74.42 109.428 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.38 147.41 37.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.66 -0.867 . . . . 70.21 108.66 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -113.66 126.36 55.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 65.41 111.753 -168.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -114.21 162.91 15.94 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.535 -0.757 . . . . 63.43 109.52 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.574 -0.726 . . . . 73.1 110.399 176.601 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.175 0.512 . . . . 44.15 110.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -121.07 121.29 37.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.451 -0.795 . . . . 75.44 109.672 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 95.3 mt-30 -126.21 147.91 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.619 -0.511 . . . . 72.15 109.619 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.9 ptm180 -133.73 130.68 38.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.153 -0.684 . . . . 73.44 109.153 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -129.04 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.358 0.599 . . . . 72.44 111.695 -170.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.54 ' H ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -134.52 122.73 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.269 -0.878 . . . . 61.44 109.242 -177.414 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 67.5 t80 -136.56 144.51 44.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.341 -0.615 . . . . 73.42 109.341 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 6.8 ppt_? -114.07 124.33 51.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.418 0.628 . . . . 74.23 110.91 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.99 -178.78 39.26 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.647 -0.981 . . . . 52.34 110.647 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -65.77 148.24 52.09 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.164 0.507 . . . . 60.14 111.192 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 48.3 mt-10 -55.6 -49.76 71.94 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 115.474 -0.785 . . . . 71.54 111.503 -175.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.17 -58.79 6.24 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.048 0.218 . . . . 75.04 111.3 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -59.27 -36.9 76.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.575 0.226 . . . . 53.23 110.598 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' TYR . 46.2 t -65.01 -42.32 94.57 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.963 0.411 . . . . 62.53 111.034 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.66 ' NH1' ' SG ' ' A' ' 33' ' ' CYS . 10.2 mpt_? -64.69 -47.72 77.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.355 . . . . 74.44 110.644 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.78 -27.92 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.309 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 80.3 t80 -63.62 -51.02 67.06 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.396 -0.594 . . . . 75.13 109.396 173.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -58.29 -42.6 86.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.942 176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.86 -61.22 2.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.641 -0.709 . . . . 62.43 110.461 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.83 -40.98 81.31 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 123.717 0.807 . . . . 75.42 111.13 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.12 -51.48 67.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.628 -0.714 . . . . 63.25 111.026 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.7 t -69.89 -33.94 72.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.121 -0.49 . . . . 62.12 111.406 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -79.52 -31.59 42.16 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 121.061 -0.256 . . . . 74.34 110.702 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -77.2 -55.62 5.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.865 0.364 . . . . 75.42 110.313 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -91.84 130.62 37.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 64.31 109.869 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 74.13 0.12 Allowed Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.321 -0.466 . . . . 64.34 112.638 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -155.33 171.26 20.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.815 -0.439 . . . . 52.13 109.815 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.61 126.21 55.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.402 -0.962 . . . . 65.44 108.402 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 9.6 p -126.93 135.08 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 74.4 111.767 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 36.8 tt0 -113.72 108.54 17.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.299 -1.0 . . . . 72.2 108.299 171.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG12 ' HB2' ' A' ' 18' ' ' ALA . 9.0 p -113.55 136.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.229 -0.656 . . . . 75.21 109.229 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.8 136.11 52.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.681 -0.859 . . . . 73.1 108.681 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' NH1' ' A' ' 15' ' ' ARG . 3.2 m -113.68 121.29 43.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.908 -0.587 . . . . 71.21 111.544 -164.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -113.82 173.57 6.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.551 -0.749 . . . . 71.23 109.403 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.011 -0.518 . . . . 74.1 110.722 -179.286 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.593 0.235 . . . . 74.2 110.553 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 97.2 mttt -123.24 146.54 47.76 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.107 -0.331 . . . . 51.25 110.107 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 36.2 tt0 -159.92 150.83 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 64.22 110.908 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -122.79 127.53 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.334 -0.617 . . . . 72.22 109.334 172.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -113.89 174.89 5.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.967 -0.753 . . . . 73.42 108.967 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -143.82 130.78 20.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.346 0.593 . . . . 73.22 111.011 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -113.9 154.69 27.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.674 -1.148 . . . . 61.12 108.376 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 34' ' ' GLU . 36.2 mtm180 -113.55 121.96 45.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.023 0.374 . . . . 65.15 110.486 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 -155.81 26.64 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.775 -0.648 . . . . 65.22 111.483 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -69.53 137.83 52.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 110.03 -0.359 . . . . 53.31 110.03 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.76 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -49.71 -36.06 24.06 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 123.413 0.446 . . . . 70.24 111.147 -179.077 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.592 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 43.2 tt0 -61.15 -49.18 78.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.586 -0.734 . . . . 73.44 110.183 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.2 -42.85 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.101 -0.5 . . . . 72.3 110.385 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.79 -46.35 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 74.22 110.49 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 22.4 mmt180 -75.39 -26.23 58.29 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.143 -0.481 . . . . 75.22 111.591 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 97.3 mttt -60.58 -52.08 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.978 -0.749 . . . . 73.43 108.978 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.25 -43.0 87.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 75.25 110.432 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.87 39.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.345 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 73.1 mm-40 -56.42 -55.19 36.7 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.906 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.52 -53.92 50.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.483 -0.78 . . . . 74.34 110.996 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.6 -43.65 98.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.001 -0.545 . . . . 63.43 110.848 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -64.04 -38.96 92.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.47 . . . . 62.41 111.257 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -25.28 34.87 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.861 -0.336 . . . . 71.33 111.143 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -73.64 -45.33 53.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.753 0.311 . . . . 73.11 110.883 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.5 p -82.79 167.67 17.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 64.03 111.414 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.87 16.13 60.73 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.025 -0.83 . . . . 63.35 111.025 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.8 m -111.01 -179.86 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.766 0.427 . . . . 42.21 110.547 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 35.9 tt0 -113.63 99.49 7.77 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.766 -0.828 . . . . 63.43 108.766 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 6.1 p -126.75 127.58 70.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.021 -0.536 . . . . 42.45 110.643 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -116.68 160.28 20.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.213 -0.662 . . . . 64.15 109.213 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -123.03 150.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.029 0.443 . . . . 71.23 110.512 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -113.14 154.09 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.996 -1.113 . . . . 72.43 107.996 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.76 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 7.0 t -115.05 114.27 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.406 . . . . 61.31 110.845 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 8' ' ' ARG . 39.1 mm-40 -113.85 179.56 3.92 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.428 -0.805 . . . . 53.25 110.078 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.862 . . . . 62.21 109.083 172.557 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.78 0.324 . . . . 44.04 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -140.39 139.26 35.26 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.569 -0.53 . . . . 74.32 109.569 177.271 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -129.58 155.01 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.194 -0.298 . . . . 74.31 110.194 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -136.15 119.44 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.84 -0.43 . . . . 72.51 109.84 171.342 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.01 175.43 5.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.821 -0.437 . . . . 65.2 109.821 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -137.06 154.25 50.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 75.44 110.748 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -140.77 162.16 36.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.878 -0.601 . . . . 74.33 110.675 -169.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -137.58 123.76 20.46 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.435 0.694 . . . . 71.54 109.326 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.48 0.21 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.074 -0.584 . . . . 54.34 112.584 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 p 179.8 158.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.665 0.386 . . . . 71.1 109.998 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HG3' ' N ' ' A' ' 12' ' ' GLU . 5.6 pt-20 -54.08 -42.19 69.06 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.086 0.241 . . . . 65.34 111.644 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 9.2 tp10 -61.64 -58.84 6.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.568 0.223 . . . . 75.15 111.114 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.62 -26.45 68.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.037 -0.265 . . . . 64.5 110.624 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.93 -40.88 87.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.142 0.496 . . . . 52.22 109.937 171.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -65.03 -40.81 95.39 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 115.738 -0.665 . . . . 75.13 110.197 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 25.6 mtpp -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 72.34 110.24 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.27 -47.47 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.531 -0.544 . . . . 71.14 109.531 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.27 -39.8 95.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.476 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.76 -60.52 3.57 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.254 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.9 mm-40 -57.32 -50.85 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.362 -0.835 . . . . 70.12 110.884 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 29' ' ' VAL . 22.2 tp -58.1 -47.05 84.43 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.993 -0.548 . . . . 71.23 110.88 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -64.62 -48.01 76.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.787 -0.642 . . . . 61.1 110.892 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 8.8 ptm180 -72.99 -21.05 60.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.255 -0.43 . . . . 72.03 110.509 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -79.78 -46.52 16.83 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.436 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -88.36 162.15 16.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.23 0.538 . . . . 51.4 111.973 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.73 7.16 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.889 -0.884 . . . . 71.22 110.889 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.6 m -119.54 -167.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.469 . . . . 65.42 110.706 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp10 -113.29 120.79 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.175 -1.046 . . . . 65.23 108.175 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 21' ' ' LEU . 95.3 t -114.17 138.66 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.372 0.606 . . . . 72.44 111.79 -172.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 9.2 tp10 -122.54 146.91 46.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.654 -1.239 . . . . 54.21 107.654 173.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 18' ' ' ALA . 5.4 p -144.74 145.81 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 71.02 111.181 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -113.54 130.98 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.131 -0.94 . . . . 74.42 108.473 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -113.88 135.54 53.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.24 0.459 . . . . 71.02 112.24 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -113.45 150.06 33.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.868 -1.16 . . . . 74.42 107.868 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.249 1.059 0 N-CA-C 109.199 -0.667 . . . . 63.43 109.199 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.469 0.652 . . . . 44.42 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.5 mtmp? -99.31 117.19 33.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.381 -0.827 . . . . 72.21 109.151 169.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -113.93 158.95 20.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.519 0.199 . . . . 65.23 110.548 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.594 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 33.7 mtp-105 -133.91 119.96 19.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.238 -0.653 . . . . 73.2 109.238 172.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -120.44 152.61 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.188 -0.301 . . . . 73.15 110.188 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -113.67 136.0 53.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.78 -0.452 . . . . 71.52 109.78 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -133.19 146.85 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 64.21 109.331 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -113.66 119.85 38.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.858 -0.423 . . . . 75.11 109.858 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.81 36.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.069 -0.586 . . . . 40.33 112.348 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 p -91.6 175.39 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.237 0.542 . . . . 74.13 112.035 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.97 -51.76 9.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.811 -1.086 . . . . 74.13 112.709 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -36.97 82.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 110.211 -0.292 . . . . 74.22 110.211 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.32 -42.17 98.23 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 73.23 109.669 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.48 -44.75 96.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.404 -0.816 . . . . 71.14 110.565 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -61.35 -44.56 96.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.0 -0.545 . . . . 71.11 110.98 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.12 -60.5 3.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 73.41 110.664 178.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -55.18 -44.95 75.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 75.44 111.042 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 73.45 111.36 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.42 -45.54 87.1 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.397 -0.365 . . . . 75.51 110.637 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 68.9 mm-40 -59.45 -49.93 75.91 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.344 0.592 . . . . 62.44 109.85 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 29' ' ' VAL . 27.0 tp -58.56 -34.76 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.255 -0.884 . . . . 65.32 110.562 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -69.07 -46.49 67.68 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.086 -0.507 . . . . 65.11 110.715 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -73.84 -18.79 60.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.981 0.42 . . . . 63.53 110.587 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -81.29 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 73.13 111.104 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -113.22 112.65 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.037 -0.528 . . . . 75.21 110.764 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.41 70.36 1.09 Allowed Glycine 0 C--N 1.332 0.342 0 CA-C-N 116.047 -0.524 . . . . 62.24 112.04 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 86.4 m -150.35 -162.04 1.47 Allowed 'General case' 0 C--O 1.241 0.607 0 C-N-CA 122.807 0.443 . . . . 73.44 109.996 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.2 tp10 -113.62 139.87 48.67 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.003 -0.74 . . . . 63.52 109.003 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 21' ' ' LEU . 10.2 p -151.44 143.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.582 0.706 . . . . 71.24 111.881 -175.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 13.3 tp10 -113.35 134.52 54.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.849 -1.069 . . . . 75.24 108.232 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 139.44 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.721 -0.474 . . . . 74.13 109.721 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 143.6 44.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 63.45 109.425 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -115.22 116.58 28.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.659 0.266 . . . . 41.41 110.853 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.3 146.7 40.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.065 0.459 . . . . 64.23 110.725 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.321 -0.854 . . . . 74.14 109.038 178.848 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.451 0.167 . . . . 73.4 111.185 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -80.53 111.03 16.56 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.45 -0.574 . . . . 75.34 109.45 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.506 ' HB3' HG22 ' A' ' 29' ' ' VAL . 27.3 tt0 -132.29 149.03 52.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 71.15 110.643 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 32.0 mtp180 -129.53 134.89 48.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.788 -0.642 . . . . 75.22 109.793 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -129.95 140.15 50.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.967 -0.561 . . . . 74.52 109.529 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 11.7 ptp180 -113.68 133.92 55.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.303 -0.629 . . . . 63.11 109.303 177.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.9 t80 -130.38 164.86 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.714 -0.676 . . . . 75.04 110.023 -170.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -121.17 114.07 20.9 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.95 -0.389 . . . . 73.34 109.95 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.91 -173.02 37.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.898 -0.668 . . . . 73.33 112.245 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -82.78 168.9 16.73 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.447 0.299 . . . . 73.14 111.179 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 9.6 pt-20 -57.92 -25.04 60.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.466 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -56.81 -54.06 50.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.339 -0.615 . . . . 75.55 109.339 172.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.08 -46.28 90.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.456 -0.793 . . . . 73.13 110.122 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 6.2 m -56.43 -59.65 4.66 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.724 -0.671 . . . . 51.42 111.224 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -69.73 -36.81 76.19 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.682 -0.69 . . . . 64.31 111.506 -173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -67.9 -41.59 82.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.503 0.192 . . . . 73.25 110.669 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.23 -49.93 75.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 74.44 109.82 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.75 83.53 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.049 -0.523 . . . . 74.23 110.875 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.39 -54.74 43.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.822 -0.626 . . . . 65.34 111.216 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 46.7 mt-10 -63.3 -41.37 98.94 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.847 -0.615 . . . . 72.43 110.945 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 29' ' ' VAL . 4.5 tt -62.14 -48.59 79.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 62.25 109.893 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -65.29 -36.88 85.44 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.029 -0.532 . . . . 53.23 111.466 -176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 15.4 ptm180 -79.24 -26.51 42.45 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.026 -0.269 . . . . 70.53 110.619 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -74.34 -52.68 11.48 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 71.21 110.239 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -120.65 124.93 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 72.14 110.543 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.3 79.39 0.91 Allowed Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.101 -0.5 . . . . 64.31 112.868 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 1' ' ' CYS . 94.4 m -136.89 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.581 0.352 . . . . 73.42 110.273 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 2' ' ' LYS . 10.8 pm0 -113.27 100.33 8.48 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.927 0.87 . . . . 75.14 109.142 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 3' ' ' GLN . 41.0 t -113.85 139.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 72.12 110.567 -173.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 10.4 tp10 -113.77 135.62 53.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.677 -0.86 . . . . 74.41 108.677 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.93 120.01 62.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.843 0.354 . . . . 74.21 110.587 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 7.9 pt-20 -113.45 114.99 27.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.143 -0.688 . . . . 71.32 109.143 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 5.1 p -114.43 142.71 46.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.11 0.481 . . . . 65.24 111.685 -173.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -113.56 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.112 -0.949 . . . . 74.52 108.632 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.964 -1.017 . . . . 75.32 110.159 179.353 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.119 0.485 . . . . 53.03 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 40.0 ttmt -142.33 144.83 33.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 74.04 110.237 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -152.81 165.33 35.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 72.1 109.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -126.58 145.18 50.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.247 0.546 . . . . 55.15 110.72 173.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -135.92 153.06 51.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.594 -0.891 . . . . 73.21 108.594 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 17.0 ptt180 -113.4 128.09 56.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.48 0.657 . . . . 65.13 109.983 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.578 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 66.8 t80 -113.76 167.98 10.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.773 -1.103 . . . . 62.13 109.193 -172.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 14.0 ptt180 -133.67 125.11 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.627 -0.509 . . . . 72.42 109.627 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.63 -164.38 32.09 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.93 -0.577 . . . . 63.41 112.153 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -88.64 173.45 8.61 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.738 0.304 . . . . 74.3 111.57 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -47.61 -49.97 25.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.82 -0.627 . . . . 72.41 110.944 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.82 -64.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.272 -0.876 . . . . 61.52 110.972 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -51.08 -47.31 61.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 75.35 111.115 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.67 -59.49 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.345 -0.843 . . . . 74.12 111.828 -175.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -70.24 -36.26 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 74.43 111.257 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 43.7 tttm -58.01 -51.42 69.74 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.93 0.395 . . . . 61.54 109.967 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.99 -43.13 77.36 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.644 -0.707 . . . . 75.21 110.367 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -60.45 3.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.911 -0.586 . . . . 65.34 111.907 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 8.2 pt-20 -61.26 -45.39 94.73 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.834 0.35 . . . . 74.52 111.341 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.6 mt-10 -66.49 -44.25 83.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.288 -0.414 . . . . 61.44 110.671 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.3 tt -59.57 -45.81 90.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.312 -0.625 . . . . 63.3 109.312 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -55.48 -60.02 4.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.863 -0.608 . . . . 63.23 110.732 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 19' ' ' GLU . 7.0 ptp180 -66.23 -38.06 87.0 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.317 -0.402 . . . . 70.11 111.495 -175.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -43.16 86.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.755 0.312 . . . . 71.45 110.823 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.11 -21.86 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.026 0.441 . . . . 72.03 110.946 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.64 25.87 73.0 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.074 -0.811 . . . . 61.05 111.074 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.7 m -129.07 -171.79 2.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.094 -0.553 . . . . 64.31 110.062 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.8 tp10 -113.61 132.75 55.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.387 -0.597 . . . . 70.13 109.387 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -128.07 136.54 59.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.348 0.594 . . . . 74.02 110.6 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 41.8 tt0 -113.53 115.26 27.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.925 -1.139 . . . . 61.44 107.925 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' SG ' ' A' ' 33' ' ' CYS . 61.1 t -113.58 124.26 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.124 0.487 . . . . 63.43 110.935 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 35.4 mt-10 -113.63 118.09 33.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.799 -1.186 . . . . 65.13 107.799 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 7' ' ' TYR . 88.8 m -113.38 142.03 46.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 73.44 112.075 -168.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 31.4 mt-10 -131.05 -179.53 5.39 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.689 -1.142 . . . . 45.44 109.527 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.514 -0.755 . . . . 64.33 109.78 175.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.758 0.789 . . . . 52.14 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -93.57 107.87 19.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.001 -1.454 . . . . 72.13 110.219 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 16.1 mm100 -115.78 127.95 55.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.532 0.682 . . . . 64.33 110.569 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.3 123.63 10.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.904 -1.044 . . . . 65.31 108.671 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -129.34 168.42 16.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.096 0.474 . . . . 74.44 111.399 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 34' ' ' GLU . 16.0 ptm180 -117.61 138.82 51.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 74.31 109.823 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 92.9 t80 -145.63 148.4 33.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.943 -0.762 . . . . 75.35 108.943 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -113.64 132.38 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.983 -0.377 . . . . 72.33 109.983 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.86 -143.43 10.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.195 -0.526 . . . . 42.35 112.158 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -103.45 149.58 24.68 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.911 0.386 . . . . 42.11 111.525 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.28 -44.6 53.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.563 -0.744 . . . . 75.45 111.573 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 4.0 tm-20 -52.37 -51.53 58.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.041 -0.527 . . . . 75.42 110.61 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.6 -38.6 91.75 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.801 -0.636 . . . . 73.54 110.73 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.1 m -56.34 -54.46 45.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.473 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -62.75 -40.76 98.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.72 -0.673 . . . . 72.1 111.234 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 2.2 mptm? -59.19 -50.83 72.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.834 0.349 . . . . 75.53 110.268 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -59.58 -39.0 82.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.895 -0.593 . . . . 65.54 110.311 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -67.18 -38.87 86.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.634 -0.712 . . . . 71.13 110.992 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.95 -43.23 75.44 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.407 -0.36 . . . . 50.15 110.145 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -58.85 -42.71 89.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 73.42 109.977 174.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.82 -41.53 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 72.34 110.88 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -67.73 -42.68 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.614 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 4.1 ptm180 -76.14 -19.42 58.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.733 -0.469 . . . . 62.21 109.733 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -69.9 -62.26 1.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.732 -0.667 . . . . 75.41 110.232 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.8 m -124.58 125.69 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.704 -0.225 . . . . 72.13 110.553 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.43 65.71 2.02 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 116.433 -0.349 . . . . 55.3 112.991 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.8 m -112.46 -159.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.534 -0.543 . . . . 55.13 109.534 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -112.86 99.73 8.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.061 -1.459 . . . . 74.25 107.061 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.5 p -128.14 141.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.506 -0.77 . . . . 65.22 112.114 -166.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -148.78 168.45 22.92 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.323 -0.853 . . . . 71.13 110.933 170.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' A' ' 18' ' ' ALA . 7.1 p -137.17 146.1 28.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.484 -1.235 . . . . 73.22 108.732 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -112.58 158.81 19.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.128 -0.693 . . . . 72.14 109.128 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 8.9 m -113.43 131.0 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.208 0.528 . . . . 71.05 111.299 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 6' ' ' ARG . 39.6 mt-10 -115.97 166.02 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 73.44 109.064 173.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.607 -0.711 . . . . 74.41 109.207 176.059 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 5.9 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.024 0.44 . . . . 73.22 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.761 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 10.4 mtmp? -118.19 144.97 45.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.725 -0.472 . . . . 71.44 109.725 177.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -151.39 148.69 28.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.699 0.285 . . . . 74.14 110.521 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.4 ptt180 -113.95 150.26 34.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.804 0.335 . . . . 64.11 110.589 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.442 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.9 mmm180 -141.22 168.34 20.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.714 -0.676 . . . . 75.13 109.263 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -140.01 135.03 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 72.23 109.928 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -124.56 141.61 51.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.489 -0.778 . . . . 74.25 109.3 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -113.88 136.05 53.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 74.32 110.84 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.75 -82.46 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.493 -0.643 . . . . 32.04 111.493 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.3 m -156.36 151.18 26.03 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.94 -0.393 . . . . 52.54 109.94 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.742 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.9 pt-20 -52.65 -40.15 62.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 54.42 112.037 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.85 -50.17 74.51 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 71.11 110.074 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -58.07 -41.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 53.31 110.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -62.27 -45.21 94.32 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.973 -0.558 . . . . 41.3 110.455 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 35.5 mtp180 -61.39 -46.47 90.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.554 -0.748 . . . . 65.24 110.658 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -58.33 -46.07 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 71.43 110.267 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -57.1 -41.18 78.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.64 -0.709 . . . . 73.31 110.331 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.73 88.02 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.961 -0.563 . . . . 61.34 111.385 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 28.2 mm-40 -62.16 -51.73 66.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.072 -0.513 . . . . 75.24 110.099 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -54.43 -46.55 73.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.67 -0.696 . . . . 74.42 110.409 176.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -52.65 63.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.298 -0.41 . . . . 74.42 111.266 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -65.46 -41.57 93.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.985 -0.552 . . . . 71.22 112.01 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 3.1 ptp180 -75.69 -24.19 56.25 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.728 0.299 . . . . 72.43 110.963 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 12.1 tpt180 -72.92 -50.69 22.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.046 0.45 . . . . 65.31 110.073 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -119.31 122.56 42.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.651 -0.704 . . . . 72.02 110.527 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 80.96 0.08 OUTLIER Glycine 0 C--N 1.335 0.476 0 O-C-N 123.409 0.443 . . . . 64.24 112.456 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.0 m -153.66 -169.67 3.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.865 0.466 . . . . 70.02 109.858 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 8.2 tp10 -112.99 102.34 10.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.695 -0.854 . . . . 74.25 108.695 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -113.68 125.94 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.875 -0.602 . . . . 70.23 109.965 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 42.8 tt0 -113.62 131.35 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.879 -0.6 . . . . 32.34 109.383 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 5' ' ' ARG . 98.5 t -114.12 146.7 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.222 0.534 . . . . 55.22 110.443 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.25 145.01 41.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.567 -1.272 . . . . 71.52 107.567 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.742 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 17.0 t -113.67 140.22 48.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.234 0.54 . . . . 41.24 112.164 -168.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.83 175.13 9.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.134 -0.939 . . . . 74.01 108.735 175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.453 -0.784 . . . . 60.15 110.419 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.102 0.477 . . . . 65.43 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.627 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 59.4 mttp -131.41 137.79 48.81 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.586 -0.734 . . . . 73.41 110.218 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 53.2 mt-30 -146.3 135.21 22.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 35.13 110.473 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -121.48 136.05 54.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.902 -0.777 . . . . 73.0 108.902 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -136.7 146.99 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 71.42 111.616 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -113.76 118.1 33.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.338 -0.986 . . . . 74.31 108.338 172.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -113.39 129.22 56.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.708 -0.479 . . . . 64.42 109.708 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.598 ' HG3' ' HB2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -113.47 130.05 56.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.224 -0.444 . . . . 71.44 109.861 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.4 -80.55 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.947 -0.861 . . . . 71.5 110.947 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.518 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 39.5 m -159.17 164.71 34.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 110.012 -0.366 . . . . 74.44 110.012 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 16.9 mm-40 -53.13 -60.05 3.77 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.612 0.57 . . . . 75.11 111.511 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.37 -40.38 82.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.517 -0.31 . . . . 74.31 111.009 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 10.7 mm-40 -58.6 -49.25 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 74.14 110.068 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.06 -49.58 76.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.177 -0.92 . . . . 35.21 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 96.8 mtt180 -61.97 -46.75 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 70.41 110.562 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.79 -39.72 89.94 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.145 -0.48 . . . . 64.54 110.819 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.51 -48.11 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.909 0.385 . . . . 72.3 110.148 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -45.93 84.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.599 -0.728 . . . . 74.15 110.427 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 14.9 tp10 -59.46 -52.37 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 64.23 110.542 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -51.58 -54.02 32.0 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.133 -0.485 . . . . 61.35 110.766 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 29' ' ' VAL . 30.8 tp -62.59 -39.36 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 64.41 110.78 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -68.78 -44.89 72.7 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.079 -0.509 . . . . 53.42 111.092 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.77 -26.87 55.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.719 0.295 . . . . 73.12 111.078 -178.104 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 45.3 ttp180 -77.81 -47.38 19.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.05 0.452 . . . . 74.23 110.524 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -126.67 112.99 16.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 71.43 110.528 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 74.04 0.45 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.99 -0.55 . . . . 72.54 112.334 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.9 m -120.18 -164.26 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.596 0.358 . . . . 64.13 110.419 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 7.8 tp10 -113.29 103.17 11.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.657 -0.868 . . . . 61.12 108.657 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.643 HG21 HD23 ' A' ' 21' ' ' LEU . 7.3 p -118.41 145.33 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 72.54 111.851 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -133.13 119.3 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.433 -0.803 . . . . 62.42 109.102 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.06 143.96 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.956 -0.387 . . . . 60.13 109.956 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.58 148.18 36.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.117 -0.697 . . . . 72.1 109.117 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.6 m -113.5 119.12 36.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 65.13 110.414 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' HB2' ' HG3' ' A' ' 8' ' ' ARG . 41.5 mt-10 -130.84 179.82 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.729 -0.669 . . . . 62.32 110.195 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.756 -0.64 . . . . 43.21 109.553 177.557 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.94 0.4 . . . . 65.52 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -115.67 130.14 56.75 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.135 -0.691 . . . . 71.43 109.135 171.616 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -113.95 150.89 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 74.14 111.242 -171.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.475 ' HD2' ' HB3' ' A' ' 30' ' ' GLU . 12.3 mmm180 -127.48 113.52 16.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 70.21 109.161 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.3 mmt180 -128.89 159.87 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.37 0.605 . . . . 73.13 111.105 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -132.31 141.81 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.65 -0.87 . . . . 74.24 108.65 172.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 13' ' ' GLU . 13.9 t80 -131.68 127.12 36.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.428 -0.582 . . . . 74.34 109.428 -177.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -113.61 130.26 56.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 75.41 110.283 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.68 -61.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.172 -0.771 . . . . 64.33 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.8 p -175.88 171.77 2.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 110.206 -0.294 . . . . 42.13 110.206 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -56.65 -46.59 80.96 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.103 -0.498 . . . . 61.11 110.055 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.61 -59.39 4.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 64.44 110.061 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 7.8 mm-40 -57.06 -53.0 63.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.228 -0.896 . . . . 62.05 111.942 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.65 -48.88 68.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 72.45 111.751 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -66.5 -38.06 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 70.11 111.021 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -64.39 -45.51 87.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.743 0.306 . . . . 71.13 110.256 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -55.0 -46.98 75.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.947 -0.569 . . . . 74.34 110.377 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.46 81.23 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.035 -0.53 . . . . 62.1 111.364 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -57.64 11.93 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.452 0.644 . . . . 52.03 109.638 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.32 -40.47 77.98 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.335 -0.848 . . . . 65.45 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -57.8 -54.34 47.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.866 0.365 . . . . 73.13 110.428 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -60.29 -45.0 94.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 42.04 111.276 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -79.99 -40.36 28.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.108 0.411 . . . . 64.54 112.108 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -82.38 -46.3 13.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.899 0.38 . . . . 63.44 111.644 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.1 m -75.83 126.59 31.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.315 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -77.51 62.37 3.48 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.833 -0.507 . . . . 51.13 111.833 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 57.0 m -164.98 -169.07 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.478 0.711 . . . . 75.32 109.379 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 47.5 tt0 -113.28 141.54 46.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.486 -0.931 . . . . 72.34 108.486 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.716 HG11 ' HB3' ' A' ' 21' ' ' LEU . 10.1 p -146.12 148.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.923 0.392 . . . . 61.34 111.282 -173.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -131.67 138.83 48.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.65 -1.241 . . . . 72.54 107.65 175.561 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 61.8 t -135.27 145.69 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.76 0.314 . . . . 74.14 111.346 -171.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -113.22 148.63 35.1 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.98 -0.555 . . . . 72.51 110.093 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.0 m -114.08 123.59 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 61.12 111.231 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.47 168.65 16.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.448 -0.575 . . . . 75.35 109.448 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.909 -0.567 . . . . 64.22 110.362 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 121.233 0.54 . . . . 75.54 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 93.0 mttt -114.52 133.53 55.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.032 -0.729 . . . . 74.41 109.032 174.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -133.81 146.82 51.01 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.95 0.405 . . . . 73.34 111.574 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 30' ' ' GLU . 21.1 mmt180 -117.75 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.614 -0.721 . . . . 70.03 109.644 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.539 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -118.87 164.8 14.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.558 -0.292 . . . . 50.12 110.567 -179.146 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -113.68 133.3 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.184 0.516 . . . . 72.12 110.453 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 29.7 t80 -131.88 130.14 41.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.966 -1.124 . . . . 72.33 107.966 175.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 29.3 ptt180 -113.55 134.96 54.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 73.14 110.198 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.15 -131.21 5.6 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 115.894 -0.593 . . . . 23.21 112.088 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 16.3 m -84.67 131.81 34.54 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.787 0.327 . . . . 51.34 110.965 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.937 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.7 pt-20 -64.2 -28.61 69.87 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.427 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.32 -48.43 78.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 109.527 -0.545 . . . . 64.24 109.527 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.542 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mm-40 -64.95 -40.85 95.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.342 -0.845 . . . . 72.12 110.434 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 7' ' ' TYR . 64.0 m -57.05 -43.78 82.36 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.828 -0.624 . . . . 60.23 110.717 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -67.49 -46.52 72.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.274 -0.421 . . . . 73.31 110.647 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 54.5 mtpt -53.06 -52.0 59.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.985 -0.552 . . . . 71.23 110.618 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.42 -49.51 76.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.095 -0.957 . . . . 65.01 111.317 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -54.14 -51.11 65.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.092 0.472 . . . . 75.44 111.145 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -64.02 -50.27 69.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.772 -0.649 . . . . 73.23 111.242 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 12.2 pt-20 -61.26 -49.35 77.44 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.735 0.302 . . . . 74.43 110.559 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 45.0 tp -60.69 -37.42 81.56 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.045 -0.525 . . . . 63.34 110.217 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -58.38 -57.78 11.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.813 -0.63 . . . . 74.1 110.381 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.9 ppt_? -73.84 -19.24 60.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.807 0.336 . . . . 71.54 111.325 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -70.89 -52.65 18.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.212 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -75.35 -42.09 55.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 70.42 111.271 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.09 -15.9 59.95 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 111.375 -0.69 . . . . 74.53 111.375 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.1 m -83.84 -164.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.65 0.38 . . . . 34.45 110.012 176.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 13.4 tp10 -113.67 127.24 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.545 -0.539 . . . . 52.24 109.545 175.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 21' ' ' LEU . 6.8 p -151.16 124.09 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.822 -0.626 . . . . 62.04 109.972 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -125.9 147.71 49.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.606 -0.887 . . . . 74.45 108.606 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.539 HG12 ' HB2' ' A' ' 5' ' ' ARG . 7.0 m -113.89 165.43 8.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.239 0.542 . . . . 70.34 109.842 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.49 143.0 45.25 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.114 -1.069 . . . . 65.12 108.114 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.937 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 5.5 t -113.31 110.42 20.33 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.352 -0.61 . . . . 60.31 109.352 -173.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 26.6 mt-10 -137.82 -178.93 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.549 -0.751 . . . . 70.24 110.378 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.33 -0.843 . . . . 72.52 109.477 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.22 0.533 . . . . 75.42 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 95.6 mttt -125.1 123.98 40.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.533 -0.758 . . . . 72.3 109.687 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -114.59 163.95 14.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 72.32 110.169 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 6.1 ptp180 -137.48 133.71 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.02 -0.733 . . . . 72.01 109.02 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.602 ' HD3' HD11 ' A' ' 21' ' ' LEU . 67.2 mtp85 -147.66 177.11 9.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.69 0.281 . . . . 73.01 111.007 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' H ' ' HD2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -131.75 152.8 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 64.14 110.722 -177.137 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.474 ' HE1' ' HB3' ' A' ' 13' ' ' GLU . 24.1 t80 -153.55 171.71 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.487 -0.931 . . . . 72.24 108.487 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -141.13 135.7 31.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.426 -0.213 . . . . 73.3 110.426 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.78 -152.82 24.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.049 -0.595 . . . . 75.02 112.669 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -101.62 179.33 4.37 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.068 0.461 . . . . 64.41 111.416 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.47 -43.15 75.24 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.368 -0.833 . . . . 73.33 111.774 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.07 -48.68 77.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.193 0.52 . . . . 64.13 110.105 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 36.7 mt-10 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.636 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.92 -52.12 66.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.063 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -60.36 -58.6 7.82 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.06 -0.518 . . . . 65.44 110.722 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -48.17 -53.12 17.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.415 -0.811 . . . . 75.41 111.289 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 84.4 t80 -57.2 -53.68 55.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 74.01 111.11 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.16 80.84 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.032 -0.531 . . . . 74.31 111.904 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.32 -48.98 75.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 45.43 110.648 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.91 -41.15 91.08 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.86 0.362 . . . . 74.44 110.391 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD11 ' HD3' ' A' ' 5' ' ' ARG . 3.8 tt -57.74 -50.77 72.11 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.821 -0.627 . . . . 74.02 109.975 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' OG ' HG12 ' A' ' 29' ' ' VAL . 19.2 m -60.83 -56.56 19.77 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.957 -0.565 . . . . 44.13 111.307 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.99 -25.44 67.09 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.992 -0.549 . . . . 73.13 111.695 -174.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -80.17 -58.55 3.09 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 71.14 110.776 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -66.04 -21.05 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 73.23 111.44 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.06 47.25 24.95 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.749 -0.94 . . . . 71.11 110.749 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -150.87 -175.44 5.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.056 -0.572 . . . . 61.43 110.551 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.7 tp10 -113.49 140.73 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.852 -1.166 . . . . 74.55 107.852 171.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OG ' ' A' ' 22' ' ' SER . 11.7 p -141.92 142.33 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.266 0.555 . . . . 74.25 111.49 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.7 mt-10 -113.79 120.83 42.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.803 -0.814 . . . . 65.11 108.803 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.84 144.87 23.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.664 -0.698 . . . . 65.25 109.537 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -112.93 142.22 45.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.164 -0.68 . . . . 71.34 109.164 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.0 m -113.49 135.39 53.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.311 0.577 . . . . 73.01 111.357 -172.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -119.89 174.17 6.61 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.867 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.565 -0.731 . . . . 73.41 109.577 -178.14 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.493 0.663 . . . . 45.33 110.273 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.3 tmmm? -120.21 110.65 16.85 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.11 -1.07 . . . . 74.2 108.11 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 24.1 tt0 -128.95 161.28 30.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.363 -0.38 . . . . 71.55 110.424 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.6 ttp180 -135.73 144.76 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.671 0.272 . . . . 64.44 110.482 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -136.54 174.3 10.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.097 -0.501 . . . . 64.43 110.339 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -129.51 125.62 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.03 -0.359 . . . . 71.52 110.03 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -113.82 158.55 20.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.619 -0.882 . . . . 73.4 108.619 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -113.62 124.71 52.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 73.43 110.251 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 -141.01 7.98 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 116.008 -0.542 . . . . 62.44 111.953 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -108.35 169.56 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.218 -0.29 . . . . 63.14 110.218 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -36.35 83.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.452 -0.34 . . . . 71.44 111.143 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.93 -51.55 65.74 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.478 0.656 . . . . 74.45 110.13 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.51 -39.12 92.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.27 -0.877 . . . . 62.21 110.414 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.76 -46.52 88.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.501 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.57 -54.31 34.07 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.0 -0.545 . . . . 75.51 110.959 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -56.57 -46.12 80.94 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.718 0.294 . . . . 51.25 110.619 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -57.21 -48.58 78.44 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.846 -0.615 . . . . 73.41 110.788 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.79 89.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.392 -0.367 . . . . 64.52 111.256 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.25 -51.8 61.83 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.246 0.546 . . . . 71.24 109.62 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 47.8 mt-10 -62.99 -40.38 97.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 73.23 110.613 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.65 -44.29 97.25 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.774 -0.648 . . . . 63.33 110.202 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -63.68 -51.67 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 65.34 110.716 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.6 ptp180 -66.78 -30.63 70.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.651 0.262 . . . . 72.34 110.86 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.25 -49.46 64.32 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.853 0.358 . . . . 72.33 110.093 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.4 p -74.19 -29.15 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 61.54 110.697 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.38 79.44 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-N 115.962 -0.563 . . . . 60.11 111.887 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 73.0 m -127.48 -159.11 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.617 0.367 . . . . 72.33 110.018 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 36.4 tt0 -113.69 113.82 25.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.083 0.468 . . . . 73.2 110.22 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 43.4 t -127.08 137.36 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 65.35 110.522 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 46.7 tt0 -113.73 152.56 30.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.871 -0.789 . . . . 73.24 108.871 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.76 148.06 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 72.03 110.359 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.89 163.61 14.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.79 -0.818 . . . . 62.31 108.79 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.38 125.77 54.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.166 0.508 . . . . 73.34 110.953 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.97 164.44 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 74.13 109.332 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.937 -0.554 . . . . 63.22 110.47 178.044 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 25.7 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.047 0.451 . . . . 52.32 110.455 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -112.74 128.44 56.42 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.426 -0.583 . . . . 71.34 109.426 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -122.98 130.41 52.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.171 0.51 . . . . 73.0 110.034 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -115.84 117.89 31.46 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.318 -0.993 . . . . 72.25 108.318 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HB2' HG22 ' A' ' 31' ' ' VAL . 35.1 mmt180 -113.39 138.29 50.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 72.41 111.193 -170.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -113.75 103.27 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.384 -0.969 . . . . 65.21 108.384 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 69.7 t80 -113.59 148.46 36.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.165 -173.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -117.82 112.26 20.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 73.34 109.974 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.3 179.39 43.13 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.686 -0.688 . . . . 22.54 111.389 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -83.39 171.04 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.582 0.23 . . . . 73.44 110.991 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -46.82 -41.66 15.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.778 -0.646 . . . . 74.02 112.019 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.95 -52.4 56.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.641 -0.254 . . . . 63.3 110.569 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.6 -42.14 70.76 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.956 0.408 . . . . 72.12 110.345 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.9 m -56.74 -54.16 49.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.666 -0.697 . . . . 73.42 110.768 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -60.6 -44.68 95.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.448 -0.342 . . . . 75.42 111.294 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.94 -59.53 4.97 Favored 'General case' 0 N--CA 1.422 -1.833 0 C-N-CA 123.695 0.798 . . . . 72.04 110.918 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.06 -47.6 85.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.403 -0.817 . . . . 72.35 110.925 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.7 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.975 -0.557 . . . . 63.31 111.421 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.87 -46.15 69.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.494 -0.321 . . . . 65.0 110.705 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.04 -47.56 74.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.942 0.401 . . . . 74.43 110.753 176.408 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.91 -50.21 71.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.026 -0.534 . . . . 72.31 110.24 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -64.92 -34.19 77.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.939 -0.573 . . . . 74.33 111.306 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 6.5 ptm180 -82.07 -25.09 34.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.072 0.463 . . . . 74.33 109.922 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.48 -48.57 66.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.77 -0.65 . . . . 74.42 110.502 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -111.76 117.73 33.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 70.11 111.217 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.89 77.85 0.15 Allowed Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.129 -0.487 . . . . 13.34 111.977 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 1.7 m -151.23 -165.54 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.886 0.474 . . . . 45.04 110.201 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -113.35 110.86 21.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.212 -0.662 . . . . 72.23 109.212 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.21 126.7 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.026 -0.534 . . . . 63.4 110.902 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -114.45 122.81 47.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.071 -0.714 . . . . 75.23 109.071 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 5' ' ' ARG . 57.2 t -116.69 133.91 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.779 0.323 . . . . 75.5 111.011 -176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.2 156.91 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.024 -0.732 . . . . 63.21 109.024 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 62.7 m -126.17 138.24 53.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.101 0.477 . . . . 74.45 112.031 -172.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -133.37 -179.81 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.669 -0.864 . . . . 74.14 108.669 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.73 -0.652 . . . . 74.23 110.629 -178.586 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 2.2 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.407 0.622 . . . . 54.52 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 67.9 mttm -122.97 95.16 4.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.17 -0.923 . . . . 72.23 108.554 174.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -114.06 174.26 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.703 -0.48 . . . . 62.03 109.703 -171.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.573 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 6.2 ptp85 -150.12 152.72 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 75.51 112.008 -177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.04 161.48 33.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.362 -0.836 . . . . 74.42 110.073 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 6' ' ' ARG . 45.9 mtm180 -113.54 112.76 24.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.203 -0.665 . . . . 70.3 109.203 173.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -113.55 145.12 41.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.387 -0.824 . . . . 71.35 110.266 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -114.07 131.15 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.172 -0.306 . . . . 71.22 110.172 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.53 -158.74 30.57 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.624 -0.59 . . . . 72.12 111.624 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -79.62 152.58 29.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.251 -0.277 . . . . 65.33 110.251 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.7 mt-10 -48.43 -50.43 31.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.85 0.46 . . . . 74.12 110.841 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.35 -44.56 92.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 62.25 110.815 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.19 -37.34 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.639 . . . . 74.43 110.452 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -65.6 -42.21 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 74.13 110.167 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 24.6 mmm180 -67.74 -35.91 79.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 74.14 110.348 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 3.5 tppp? -71.94 -40.34 68.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.787 -0.642 . . . . 71.23 109.602 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -59.23 -44.49 92.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.444 -0.798 . . . . 72.14 109.534 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.12 46.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.282 -0.872 . . . . 65.51 111.662 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.0 pt-20 -62.84 -44.2 96.76 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.486 -0.325 . . . . 54.22 110.738 -176.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.1 -52.24 66.35 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.502 -0.317 . . . . 75.22 110.643 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 29' ' ' VAL . 4.1 mt -57.91 -44.0 86.56 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.206 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -69.27 -35.66 76.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.459 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 23' ' ' ARG . 5.3 ptp180 -82.17 -31.11 30.62 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.776 0.322 . . . . 63.01 110.697 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -68.67 -47.57 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.205 0.526 . . . . 72.01 110.134 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -95.2 133.87 38.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.481 -0.781 . . . . 73.42 109.873 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.04 56.74 3.15 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.162 -0.542 . . . . 32.5 111.839 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 93.6 m -154.0 -169.73 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.175 -0.676 . . . . 55.01 109.175 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 36.8 tt0 -113.77 126.75 55.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.565 -0.531 . . . . 62.53 109.565 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 21' ' ' LEU . 60.6 t -125.85 137.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.989 -0.55 . . . . 72.22 109.832 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 33.2 tt0 -113.75 143.8 44.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.812 -0.81 . . . . 74.04 108.812 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.61 146.3 29.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.26 0.552 . . . . 74.53 110.501 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -112.8 139.88 48.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.6 -1.259 . . . . 73.05 107.6 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -113.5 113.94 25.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.986 0.422 . . . . 35.11 110.864 -170.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.03 156.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.734 . . . . 63.31 109.167 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.601 -0.714 . . . . 70.41 109.962 -179.044 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.05 0.452 . . . . 72.45 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 65.6 mttp -108.07 133.36 52.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.26 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -137.53 163.81 30.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.258 -0.428 . . . . 74.43 109.976 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 30' ' ' GLU . 55.1 mtp85 -146.22 133.44 20.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.846 0.355 . . . . 71.44 110.588 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -114.91 -179.96 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 60.11 109.575 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -131.79 153.07 50.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.868 0.366 . . . . 74.12 110.731 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.23 140.2 23.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 64.34 109.385 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -113.84 133.34 55.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.895 0.379 . . . . 75.43 110.758 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.78 -137.44 5.08 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.324 -0.71 . . . . 63.32 111.324 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -96.31 152.04 18.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.164 -0.31 . . . . 44.34 110.164 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -49.81 -44.92 49.5 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.417 -0.356 . . . . 71.05 111.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.74 -50.85 67.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.057 -0.52 . . . . 71.1 110.189 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.11 -43.72 91.94 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.642 -0.708 . . . . 73.33 110.461 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.24 -48.25 82.31 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.871 -0.604 . . . . 75.33 110.87 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -67.62 -42.34 82.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 74.31 111.611 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -67.49 -38.86 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.944 -0.302 . . . . 72.31 110.836 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.7 -42.88 97.92 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.315 -0.624 . . . . 65.01 109.315 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . . . -59.51 -46.55 88.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.773 -0.648 . . . . 74.33 110.956 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.85 -51.61 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.757 -0.656 . . . . 74.22 110.772 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.8 -44.38 90.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 70.22 110.83 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 tp -64.85 -38.31 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.308 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.3 t -64.04 -45.94 86.64 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.767 -0.651 . . . . 75.35 110.886 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.09 -25.65 52.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.253 -0.431 . . . . 71.43 111.049 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -75.91 -48.53 20.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 72.52 111.39 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -77.64 136.6 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 62.2 111.451 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -79.28 60.83 4.23 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 111.829 -0.508 . . . . 72.44 111.829 176.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 18.0 m -169.16 -164.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.308 0.643 . . . . 64.54 109.734 -177.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.5 tp10 -113.6 99.89 8.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.351 -0.981 . . . . 73.11 108.351 173.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.04 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 75.02 110.592 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.794 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 38.6 mt-10 -118.17 -179.71 3.85 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.812 0.815 . . . . 74.21 110.798 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 93.4 t -139.7 154.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-N 114.035 -1.439 . . . . 71.12 109.858 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -113.13 149.63 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.131 -1.063 . . . . 65.44 108.131 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.6 t -113.48 126.59 55.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 74.01 110.684 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.31 -179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.929 -0.767 . . . . 54.25 108.929 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 110.116 -0.328 . . . . 72.54 110.116 177.375 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.19 -0.3 . . . . 72.41 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.9 tppt? -122.35 137.05 54.99 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.657 0.383 . . . . 63.03 109.997 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.911 -0.774 . . . . 74.11 108.911 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.611 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 75.6 mtp180 -113.96 127.94 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.796 0.331 . . . . 74.31 110.494 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -132.26 153.64 50.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.089 -0.505 . . . . 74.3 110.464 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -113.71 125.98 54.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.765 -0.828 . . . . 54.2 108.765 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 51.6 t80 -131.04 154.56 48.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.782 -0.644 . . . . 75.54 109.714 -168.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 5.5 ptm180 -113.82 129.39 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.599 -0.519 . . . . 63.23 109.599 174.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.06 167.95 28.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.582 -0.818 . . . . 70.42 112.937 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 12.8 m -62.22 158.94 15.88 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.464 0.306 . . . . 72.42 110.403 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.1 mt-10 -49.04 -46.66 44.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.962 0.411 . . . . 73.33 110.471 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 46.6 mt-10 -57.58 -49.76 75.34 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.631 -0.713 . . . . 74.34 111.013 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 33.0 mm-40 -56.86 -39.98 75.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.13 0.491 . . . . 73.31 110.126 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -63.81 -41.7 97.84 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.4 -0.818 . . . . 74.42 110.237 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 23.9 mmt180 -60.82 -53.43 57.39 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.238 0.542 . . . . 71.45 110.231 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 27.9 mtpp -57.97 -48.01 81.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.998 -1.001 . . . . 74.23 110.772 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.42 -45.57 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.921 -0.581 . . . . 73.14 110.473 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.2 71.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 64.42 110.949 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.32 -51.71 66.56 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.463 -0.335 . . . . 70.44 110.489 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -50.67 -49.74 56.49 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.047 -0.524 . . . . 72.33 111.176 -178.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -71.12 -37.62 72.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.228 -0.442 . . . . 64.0 110.709 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -66.58 -37.71 85.5 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.44 -0.346 . . . . 70.13 110.704 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -81.99 -33.51 30.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.652 0.263 . . . . 74.42 110.575 178.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -64.33 -48.5 75.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.079 -0.51 . . . . 72.02 110.826 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.8 p -105.38 131.84 52.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 60.24 110.529 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.65 72.63 0.82 Allowed Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.985 -0.446 . . . . 23.51 111.985 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.8 m -155.64 -166.1 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.831 0.452 . . . . 70.34 109.892 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 10.8 tp10 -113.6 126.16 54.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.818 -1.179 . . . . 75.13 107.818 174.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -113.95 141.39 30.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.274 0.559 . . . . 75.44 110.9 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.611 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 23.5 tt0 -134.57 115.6 14.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.117 -0.947 . . . . 74.5 108.919 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 33' ' ' CYS . 60.6 t -113.68 132.48 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 60.2 110.31 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.66 114.82 26.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.612 -1.255 . . . . 64.33 107.612 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -113.24 134.99 54.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 62.23 112.037 -165.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 30.6 mt-10 -131.7 -179.5 5.42 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.132 -0.94 . . . . 65.24 109.499 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.606 -0.712 . . . . 73.53 109.418 171.084 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.47 0.652 . . . . 73.21 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 62.9 tttp -129.01 130.3 46.46 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.104 -0.953 . . . . 63.41 109.497 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -138.33 147.85 43.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 9.6 ptm180 -113.82 141.56 47.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 63.02 110.12 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 31' ' ' VAL . 1.3 mmp_? -132.85 164.81 26.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 73.52 109.576 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -131.91 119.11 20.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.192 -0.67 . . . . 74.33 109.192 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.7 t80 -117.87 152.53 35.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.307 -0.627 . . . . 74.44 109.307 -175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.27 144.58 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.228 -0.286 . . . . 64.34 110.228 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -64.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.064 -0.815 . . . . 64.03 111.064 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -169.46 143.76 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.204 -0.665 . . . . 75.41 109.204 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 35.2 mt-10 -50.01 -36.13 27.37 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.733 0.302 . . . . 75.42 111.309 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 43.1 tt0 -64.24 -60.33 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.179 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.2 -26.7 68.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.86 0.362 . . . . 73.45 110.353 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.39 -53.22 38.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.037 -0.529 . . . . 72.34 110.897 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.99 -35.05 79.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.693 -0.403 . . . . 74.14 110.402 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.1 mmmm -58.23 -55.26 37.33 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.429 -0.582 . . . . 65.4 109.429 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 t80 -49.26 -47.93 46.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.626 -0.715 . . . . 61.33 110.151 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 -63.36 1.33 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.661 -0.699 . . . . 72.33 112.085 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.93 -35.58 81.63 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.774 0.321 . . . . 73.1 111.194 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 48.6 mt-10 -70.85 -33.8 71.01 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.75 0.31 . . . . 63.24 110.399 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG11 ' A' ' 29' ' ' VAL . 4.6 tt -64.23 -41.91 96.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.829 -0.804 . . . . 65.11 108.829 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 t -70.51 -33.28 71.03 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.708 -0.678 . . . . 64.12 111.627 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.4 ptm180 -76.62 -31.92 57.72 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.923 -0.399 . . . . 72.44 109.923 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -67.93 -71.61 0.2 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.241 0.543 . . . . 75.23 110.283 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 m -91.63 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.63 -0.714 . . . . 71.55 110.15 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.11 73.86 0.38 Allowed Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.212 -0.518 . . . . 75.11 112.476 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -152.29 173.65 14.76 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.988 0.423 . . . . 65.23 110.566 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 35.3 tt0 -113.86 115.16 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.822 -0.807 . . . . 72.01 108.822 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 21' ' ' LEU . 7.5 p -113.69 128.53 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 75.02 109.903 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 39.7 tt0 -113.62 112.68 23.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.739 -0.838 . . . . 74.04 108.739 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 5' ' ' ARG . 59.8 t -113.77 143.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.015 0.436 . . . . 61.31 110.86 -172.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.1 139.43 48.72 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.095 -1.076 . . . . 64.42 108.095 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 38.3 t -113.77 137.18 52.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.115 0.483 . . . . 62.32 112.017 -169.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.2 -179.87 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 73.33 108.612 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.803 -0.618 . . . . 74.24 110.025 176.808 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 49.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.851 0.358 . . . . 60.21 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -112.83 118.13 34.08 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.423 -0.584 . . . . 73.05 109.423 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -113.37 127.64 56.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 72.02 110.186 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -115.72 107.13 14.69 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.529 -1.286 . . . . 71.23 107.529 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.81 154.05 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.538 . . . . 65.54 111.812 -166.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -119.15 110.66 17.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.006 -0.997 . . . . 55.12 109.046 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -119.58 142.91 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.464 -0.939 . . . . 73.05 108.464 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -122.7 141.13 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 75.51 111.247 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.08 -89.08 0.14 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.132 -0.787 . . . . 63.23 111.132 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -152.95 149.45 28.24 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.401 -0.592 . . . . 70.03 109.401 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.95 -29.94 44.71 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.277 0.361 . . . . 71.21 110.566 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -55.71 -61.64 2.23 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.008 -0.542 . . . . 71.22 110.0 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.27 -44.36 75.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.682 -0.69 . . . . 73.04 110.937 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.2 m -66.03 -43.26 88.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.623 -0.717 . . . . 45.4 111.472 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -75.06 -27.16 59.88 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 122.491 -0.13 . . . . 62.24 110.951 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -65.76 -46.9 77.07 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.713 -0.477 . . . . 72.34 109.713 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -57.68 -48.19 80.23 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.581 -0.736 . . . . 70.31 109.977 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.36 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.747 -0.66 . . . . 44.55 111.258 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.88 -60.89 2.83 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.953 -0.567 . . . . 73.23 110.668 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.92 -43.62 81.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 60.54 111.175 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -62.67 -50.25 71.9 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.97 0.414 . . . . 72.42 110.417 -177.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -64.85 -38.31 90.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.951 -0.568 . . . . 61.42 111.308 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.14 -21.75 36.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.053 -0.259 . . . . 71.2 110.922 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -73.11 -53.05 12.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.99 0.424 . . . . 62.02 110.329 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.8 p -117.61 135.76 53.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 71.15 110.597 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.35 68.82 0.9 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.298 -0.477 . . . . 64.24 112.068 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 5.9 t -136.6 177.85 7.53 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.467 -0.568 . . . . 63.43 109.467 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -113.88 118.47 34.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 72.02 110.111 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 21' ' ' LEU . 5.8 p -135.29 126.8 46.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 52.42 110.882 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.91 132.93 55.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.797 -0.816 . . . . 71.41 108.797 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.4 137.07 55.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.213 -0.449 . . . . 43.22 110.137 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.05 140.71 47.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.842 -0.799 . . . . 73.45 108.842 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.73 123.46 49.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.922 -167.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.73 160.04 19.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.011 -0.54 . . . . 53.33 109.669 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.483 -0.77 . . . . 61.14 109.955 179.036 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.566 0.222 . . . . 61.21 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -129.47 86.73 2.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.189 -1.041 . . . . 74.45 108.189 168.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 7.4 tt0 -141.29 153.34 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.497 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 86.5 mtt180 -126.03 164.79 20.07 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.019 0.437 . . . . 72.1 111.645 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -138.66 157.85 45.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.416 -0.811 . . . . 75.11 109.818 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -116.39 117.75 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.594 -0.521 . . . . 70.11 109.594 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.546 ' HD1' ' SG ' ' A' ' 14' ' ' CYS . 73.6 t80 -113.89 145.03 42.06 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.531 . . . . 74.03 109.565 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -120.19 129.28 54.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.087 0.47 . . . . 72.43 110.419 -179.337 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.27 -118.86 0.88 Allowed Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 111.547 -0.621 . . . . 23.43 111.547 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -111.54 146.34 37.48 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.755 0.312 . . . . 63.41 110.901 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.53 -35.65 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.708 -0.678 . . . . 75.31 110.404 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.06 -56.65 16.03 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.934 -0.576 . . . . 75.13 110.615 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.43 -47.1 86.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.442 -0.799 . . . . 75.42 110.087 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' SG ' ' HD1' ' A' ' 7' ' ' TYR . 58.7 m -59.02 -50.21 74.95 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.542 -0.754 . . . . 54.44 111.419 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.38 -54.58 30.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.484 -0.325 . . . . 73.51 110.973 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.16 -41.67 88.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.397 -0.365 . . . . 72.4 111.271 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.41 -43.87 96.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 74.35 110.203 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.32 48.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.664 -0.698 . . . . 75.14 111.127 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 7.6 pt-20 -64.76 -44.09 91.21 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.558 -0.292 . . . . 75.3 111.292 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.5 mt-10 -56.97 -53.29 59.71 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.088 0.47 . . . . 64.43 110.369 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.35 -39.24 92.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 74.31 110.597 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -70.24 -34.49 72.92 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.059 -0.519 . . . . 65.44 111.299 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.43 -25.32 33.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.923 0.392 . . . . 65.51 110.455 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -70.37 -53.43 16.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.875 -0.602 . . . . 71.44 109.805 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -93.62 121.69 35.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.447 -0.797 . . . . 74.23 109.86 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.21 65.87 1.25 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.249 -0.5 . . . . 73.52 112.813 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -157.55 -167.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.319 -0.623 . . . . 74.11 109.319 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -113.34 99.82 8.08 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.808 0.813 . . . . 74.35 110.669 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.7 p -120.99 123.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.016 -0.993 . . . . 75.33 109.295 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 35.5 tt0 -114.14 148.34 37.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.957 -0.565 . . . . 63.43 110.052 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.28 141.73 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.428 -0.582 . . . . 74.42 109.428 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.38 147.41 37.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.66 -0.867 . . . . 70.21 108.66 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -113.66 126.36 55.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 65.41 111.753 -168.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -114.21 162.91 15.94 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.535 -0.757 . . . . 63.43 109.52 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.574 -0.726 . . . . 73.1 110.399 176.601 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.175 0.512 . . . . 44.15 110.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -121.07 121.29 37.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.451 -0.795 . . . . 75.44 109.672 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 95.3 mt-30 -126.21 147.91 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.619 -0.511 . . . . 72.15 109.619 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.9 ptm180 -133.73 130.68 38.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.153 -0.684 . . . . 73.44 109.153 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -129.04 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.358 0.599 . . . . 72.44 111.695 -170.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.54 ' H ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -134.52 122.73 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.269 -0.878 . . . . 61.44 109.242 -177.414 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 67.5 t80 -136.56 144.51 44.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.341 -0.615 . . . . 73.42 109.341 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 6.8 ppt_? -114.07 124.33 51.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.418 0.628 . . . . 74.23 110.91 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.99 -178.78 39.26 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.647 -0.981 . . . . 52.34 110.647 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -65.77 148.24 52.09 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.164 0.507 . . . . 60.14 111.192 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 48.3 mt-10 -55.6 -49.76 71.94 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 115.474 -0.785 . . . . 71.54 111.503 -175.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.17 -58.79 6.24 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.048 0.218 . . . . 75.04 111.3 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -59.27 -36.9 76.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.575 0.226 . . . . 53.23 110.598 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' TYR . 46.2 t -65.01 -42.32 94.57 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.963 0.411 . . . . 62.53 111.034 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.66 ' NH1' ' SG ' ' A' ' 33' ' ' CYS . 10.2 mpt_? -64.69 -47.72 77.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.355 . . . . 74.44 110.644 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.78 -27.92 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.309 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 80.3 t80 -63.62 -51.02 67.06 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.396 -0.594 . . . . 75.13 109.396 173.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -58.29 -42.6 86.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.942 176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.86 -61.22 2.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.641 -0.709 . . . . 62.43 110.461 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.83 -40.98 81.31 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 123.717 0.807 . . . . 75.42 111.13 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.12 -51.48 67.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.628 -0.714 . . . . 63.25 111.026 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.7 t -69.89 -33.94 72.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.121 -0.49 . . . . 62.12 111.406 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -79.52 -31.59 42.16 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 121.061 -0.256 . . . . 74.34 110.702 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -77.2 -55.62 5.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.865 0.364 . . . . 75.42 110.313 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -91.84 130.62 37.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 64.31 109.869 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 74.13 0.12 Allowed Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.321 -0.466 . . . . 64.34 112.638 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -155.33 171.26 20.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.815 -0.439 . . . . 52.13 109.815 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.61 126.21 55.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.402 -0.962 . . . . 65.44 108.402 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 9.6 p -126.93 135.08 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 74.4 111.767 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 36.8 tt0 -113.72 108.54 17.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.299 -1.0 . . . . 72.2 108.299 171.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG12 ' HB2' ' A' ' 18' ' ' ALA . 9.0 p -113.55 136.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.229 -0.656 . . . . 75.21 109.229 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.8 136.11 52.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.681 -0.859 . . . . 73.1 108.681 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' NH1' ' A' ' 15' ' ' ARG . 3.2 m -113.68 121.29 43.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.908 -0.587 . . . . 71.21 111.544 -164.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -113.82 173.57 6.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.551 -0.749 . . . . 71.23 109.403 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.011 -0.518 . . . . 74.1 110.722 -179.286 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.593 0.235 . . . . 74.2 110.553 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 97.2 mttt -123.24 146.54 47.76 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.107 -0.331 . . . . 51.25 110.107 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 36.2 tt0 -159.92 150.83 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 64.22 110.908 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -122.79 127.53 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.334 -0.617 . . . . 72.22 109.334 172.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -113.89 174.89 5.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.967 -0.753 . . . . 73.42 108.967 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -143.82 130.78 20.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.346 0.593 . . . . 73.22 111.011 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -113.9 154.69 27.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.674 -1.148 . . . . 61.12 108.376 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 34' ' ' GLU . 36.2 mtm180 -113.55 121.96 45.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.023 0.374 . . . . 65.15 110.486 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 -155.81 26.64 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.775 -0.648 . . . . 65.22 111.483 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -69.53 137.83 52.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 110.03 -0.359 . . . . 53.31 110.03 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.76 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -49.71 -36.06 24.06 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 123.413 0.446 . . . . 70.24 111.147 -179.077 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.592 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 43.2 tt0 -61.15 -49.18 78.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.586 -0.734 . . . . 73.44 110.183 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.2 -42.85 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.101 -0.5 . . . . 72.3 110.385 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.79 -46.35 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 74.22 110.49 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 22.4 mmt180 -75.39 -26.23 58.29 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.143 -0.481 . . . . 75.22 111.591 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 97.3 mttt -60.58 -52.08 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.978 -0.749 . . . . 73.43 108.978 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.25 -43.0 87.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 75.25 110.432 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.87 39.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.345 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 73.1 mm-40 -56.42 -55.19 36.7 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.906 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.52 -53.92 50.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.483 -0.78 . . . . 74.34 110.996 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.6 -43.65 98.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.001 -0.545 . . . . 63.43 110.848 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -64.04 -38.96 92.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.47 . . . . 62.41 111.257 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -25.28 34.87 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.861 -0.336 . . . . 71.33 111.143 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -73.64 -45.33 53.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.753 0.311 . . . . 73.11 110.883 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.5 p -82.79 167.67 17.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 64.03 111.414 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.87 16.13 60.73 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.025 -0.83 . . . . 63.35 111.025 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.8 m -111.01 -179.86 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.766 0.427 . . . . 42.21 110.547 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 35.9 tt0 -113.63 99.49 7.77 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.766 -0.828 . . . . 63.43 108.766 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 6.1 p -126.75 127.58 70.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.021 -0.536 . . . . 42.45 110.643 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -116.68 160.28 20.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.213 -0.662 . . . . 64.15 109.213 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -123.03 150.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.029 0.443 . . . . 71.23 110.512 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -113.14 154.09 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.996 -1.113 . . . . 72.43 107.996 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.76 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 7.0 t -115.05 114.27 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.406 . . . . 61.31 110.845 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 8' ' ' ARG . 39.1 mm-40 -113.85 179.56 3.92 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.428 -0.805 . . . . 53.25 110.078 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.862 . . . . 62.21 109.083 172.557 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.78 0.324 . . . . 44.04 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -140.39 139.26 35.26 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.569 -0.53 . . . . 74.32 109.569 177.271 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -129.58 155.01 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.194 -0.298 . . . . 74.31 110.194 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -136.15 119.44 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.84 -0.43 . . . . 72.51 109.84 171.342 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.01 175.43 5.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.821 -0.437 . . . . 65.2 109.821 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -137.06 154.25 50.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 75.44 110.748 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -140.77 162.16 36.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.878 -0.601 . . . . 74.33 110.675 -169.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -137.58 123.76 20.46 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.435 0.694 . . . . 71.54 109.326 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.48 0.21 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.074 -0.584 . . . . 54.34 112.584 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 p 179.8 158.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.665 0.386 . . . . 71.1 109.998 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HG3' ' N ' ' A' ' 12' ' ' GLU . 5.6 pt-20 -54.08 -42.19 69.06 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.086 0.241 . . . . 65.34 111.644 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 9.2 tp10 -61.64 -58.84 6.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.568 0.223 . . . . 75.15 111.114 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.62 -26.45 68.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.037 -0.265 . . . . 64.5 110.624 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.93 -40.88 87.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.142 0.496 . . . . 52.22 109.937 171.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -65.03 -40.81 95.39 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 115.738 -0.665 . . . . 75.13 110.197 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 25.6 mtpp -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 72.34 110.24 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.27 -47.47 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.531 -0.544 . . . . 71.14 109.531 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.27 -39.8 95.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.476 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.76 -60.52 3.57 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.254 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.9 mm-40 -57.32 -50.85 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.362 -0.835 . . . . 70.12 110.884 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 29' ' ' VAL . 22.2 tp -58.1 -47.05 84.43 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.993 -0.548 . . . . 71.23 110.88 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -64.62 -48.01 76.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.787 -0.642 . . . . 61.1 110.892 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 8.8 ptm180 -72.99 -21.05 60.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.255 -0.43 . . . . 72.03 110.509 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -79.78 -46.52 16.83 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.436 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -88.36 162.15 16.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.23 0.538 . . . . 51.4 111.973 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.73 7.16 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.889 -0.884 . . . . 71.22 110.889 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.6 m -119.54 -167.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.469 . . . . 65.42 110.706 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp10 -113.29 120.79 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.175 -1.046 . . . . 65.23 108.175 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 21' ' ' LEU . 95.3 t -114.17 138.66 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.372 0.606 . . . . 72.44 111.79 -172.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 9.2 tp10 -122.54 146.91 46.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.654 -1.239 . . . . 54.21 107.654 173.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 18' ' ' ALA . 5.4 p -144.74 145.81 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 71.02 111.181 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -113.54 130.98 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.131 -0.94 . . . . 74.42 108.473 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -113.88 135.54 53.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.24 0.459 . . . . 71.02 112.24 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -113.45 150.06 33.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.868 -1.16 . . . . 74.42 107.868 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.249 1.059 0 N-CA-C 109.199 -0.667 . . . . 63.43 109.199 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.469 0.652 . . . . 44.42 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.5 mtmp? -99.31 117.19 33.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.381 -0.827 . . . . 72.21 109.151 169.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -113.93 158.95 20.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.519 0.199 . . . . 65.23 110.548 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.594 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 33.7 mtp-105 -133.91 119.96 19.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.238 -0.653 . . . . 73.2 109.238 172.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -120.44 152.61 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.188 -0.301 . . . . 73.15 110.188 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -113.67 136.0 53.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.78 -0.452 . . . . 71.52 109.78 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -133.19 146.85 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 64.21 109.331 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -113.66 119.85 38.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.858 -0.423 . . . . 75.11 109.858 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.81 36.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.069 -0.586 . . . . 40.33 112.348 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 p -91.6 175.39 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.237 0.542 . . . . 74.13 112.035 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.97 -51.76 9.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.811 -1.086 . . . . 74.13 112.709 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -36.97 82.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 110.211 -0.292 . . . . 74.22 110.211 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.32 -42.17 98.23 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 73.23 109.669 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.48 -44.75 96.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.404 -0.816 . . . . 71.14 110.565 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -61.35 -44.56 96.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.0 -0.545 . . . . 71.11 110.98 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.12 -60.5 3.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 73.41 110.664 178.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -55.18 -44.95 75.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 75.44 111.042 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 73.45 111.36 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.42 -45.54 87.1 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.397 -0.365 . . . . 75.51 110.637 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 68.9 mm-40 -59.45 -49.93 75.91 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.344 0.592 . . . . 62.44 109.85 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 29' ' ' VAL . 27.0 tp -58.56 -34.76 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.255 -0.884 . . . . 65.32 110.562 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -69.07 -46.49 67.68 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.086 -0.507 . . . . 65.11 110.715 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -73.84 -18.79 60.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.981 0.42 . . . . 63.53 110.587 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -81.29 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 73.13 111.104 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -113.22 112.65 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.037 -0.528 . . . . 75.21 110.764 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.41 70.36 1.09 Allowed Glycine 0 C--N 1.332 0.342 0 CA-C-N 116.047 -0.524 . . . . 62.24 112.04 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 86.4 m -150.35 -162.04 1.47 Allowed 'General case' 0 C--O 1.241 0.607 0 C-N-CA 122.807 0.443 . . . . 73.44 109.996 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.2 tp10 -113.62 139.87 48.67 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.003 -0.74 . . . . 63.52 109.003 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 21' ' ' LEU . 10.2 p -151.44 143.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.582 0.706 . . . . 71.24 111.881 -175.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 13.3 tp10 -113.35 134.52 54.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.849 -1.069 . . . . 75.24 108.232 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 139.44 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.721 -0.474 . . . . 74.13 109.721 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 143.6 44.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 63.45 109.425 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -115.22 116.58 28.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.659 0.266 . . . . 41.41 110.853 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.3 146.7 40.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.065 0.459 . . . . 64.23 110.725 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.321 -0.854 . . . . 74.14 109.038 178.848 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.451 0.167 . . . . 73.4 111.185 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -80.53 111.03 16.56 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.45 -0.574 . . . . 75.34 109.45 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.506 ' HB3' HG22 ' A' ' 29' ' ' VAL . 27.3 tt0 -132.29 149.03 52.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 71.15 110.643 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 32.0 mtp180 -129.53 134.89 48.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.788 -0.642 . . . . 75.22 109.793 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -129.95 140.15 50.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.967 -0.561 . . . . 74.52 109.529 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 11.7 ptp180 -113.68 133.92 55.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.303 -0.629 . . . . 63.11 109.303 177.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.9 t80 -130.38 164.86 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.714 -0.676 . . . . 75.04 110.023 -170.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -121.17 114.07 20.9 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.95 -0.389 . . . . 73.34 109.95 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.91 -173.02 37.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.898 -0.668 . . . . 73.33 112.245 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -82.78 168.9 16.73 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.447 0.299 . . . . 73.14 111.179 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 9.6 pt-20 -57.92 -25.04 60.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.466 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -56.81 -54.06 50.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.339 -0.615 . . . . 75.55 109.339 172.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.08 -46.28 90.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.456 -0.793 . . . . 73.13 110.122 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 6.2 m -56.43 -59.65 4.66 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.724 -0.671 . . . . 51.42 111.224 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -69.73 -36.81 76.19 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.682 -0.69 . . . . 64.31 111.506 -173.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -67.9 -41.59 82.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.503 0.192 . . . . 73.25 110.669 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.23 -49.93 75.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 74.44 109.82 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.75 83.53 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.049 -0.523 . . . . 74.23 110.875 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.39 -54.74 43.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.822 -0.626 . . . . 65.34 111.216 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 46.7 mt-10 -63.3 -41.37 98.94 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.847 -0.615 . . . . 72.43 110.945 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 29' ' ' VAL . 4.5 tt -62.14 -48.59 79.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 62.25 109.893 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -65.29 -36.88 85.44 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.029 -0.532 . . . . 53.23 111.466 -176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 15.4 ptm180 -79.24 -26.51 42.45 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.026 -0.269 . . . . 70.53 110.619 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -74.34 -52.68 11.48 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 71.21 110.239 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -120.65 124.93 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 72.14 110.543 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.3 79.39 0.91 Allowed Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.101 -0.5 . . . . 64.31 112.868 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 1' ' ' CYS . 94.4 m -136.89 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.581 0.352 . . . . 73.42 110.273 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 2' ' ' LYS . 10.8 pm0 -113.27 100.33 8.48 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.927 0.87 . . . . 75.14 109.142 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 3' ' ' GLN . 41.0 t -113.85 139.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 72.12 110.567 -173.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 10.4 tp10 -113.77 135.62 53.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.677 -0.86 . . . . 74.41 108.677 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.93 120.01 62.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.843 0.354 . . . . 74.21 110.587 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 7.9 pt-20 -113.45 114.99 27.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.143 -0.688 . . . . 71.32 109.143 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 5.1 p -114.43 142.71 46.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.11 0.481 . . . . 65.24 111.685 -173.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -113.56 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.112 -0.949 . . . . 74.52 108.632 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.964 -1.017 . . . . 75.32 110.159 179.353 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.119 0.485 . . . . 53.03 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 40.0 ttmt -142.33 144.83 33.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 74.04 110.237 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -152.81 165.33 35.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 72.1 109.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -126.58 145.18 50.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.247 0.546 . . . . 55.15 110.72 173.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -135.92 153.06 51.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.594 -0.891 . . . . 73.21 108.594 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 17.0 ptt180 -113.4 128.09 56.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.48 0.657 . . . . 65.13 109.983 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.578 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 66.8 t80 -113.76 167.98 10.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.773 -1.103 . . . . 62.13 109.193 -172.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 14.0 ptt180 -133.67 125.11 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.627 -0.509 . . . . 72.42 109.627 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.63 -164.38 32.09 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.93 -0.577 . . . . 63.41 112.153 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -88.64 173.45 8.61 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.738 0.304 . . . . 74.3 111.57 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -47.61 -49.97 25.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.82 -0.627 . . . . 72.41 110.944 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.82 -64.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.272 -0.876 . . . . 61.52 110.972 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -51.08 -47.31 61.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 75.35 111.115 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.67 -59.49 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.345 -0.843 . . . . 74.12 111.828 -175.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -70.24 -36.26 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 74.43 111.257 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 43.7 tttm -58.01 -51.42 69.74 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.93 0.395 . . . . 61.54 109.967 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.99 -43.13 77.36 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.644 -0.707 . . . . 75.21 110.367 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -60.45 3.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.911 -0.586 . . . . 65.34 111.907 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 8.2 pt-20 -61.26 -45.39 94.73 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.834 0.35 . . . . 74.52 111.341 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.6 mt-10 -66.49 -44.25 83.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.288 -0.414 . . . . 61.44 110.671 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.3 tt -59.57 -45.81 90.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.312 -0.625 . . . . 63.3 109.312 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -55.48 -60.02 4.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.863 -0.608 . . . . 63.23 110.732 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 19' ' ' GLU . 7.0 ptp180 -66.23 -38.06 87.0 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.317 -0.402 . . . . 70.11 111.495 -175.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -43.16 86.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.755 0.312 . . . . 71.45 110.823 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.11 -21.86 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.026 0.441 . . . . 72.03 110.946 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.64 25.87 73.0 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.074 -0.811 . . . . 61.05 111.074 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.7 m -129.07 -171.79 2.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.094 -0.553 . . . . 64.31 110.062 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.8 tp10 -113.61 132.75 55.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.387 -0.597 . . . . 70.13 109.387 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -128.07 136.54 59.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.348 0.594 . . . . 74.02 110.6 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 41.8 tt0 -113.53 115.26 27.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.925 -1.139 . . . . 61.44 107.925 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' SG ' ' A' ' 33' ' ' CYS . 61.1 t -113.58 124.26 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.124 0.487 . . . . 63.43 110.935 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 35.4 mt-10 -113.63 118.09 33.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.799 -1.186 . . . . 65.13 107.799 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 7' ' ' TYR . 88.8 m -113.38 142.03 46.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 73.44 112.075 -168.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 31.4 mt-10 -131.05 -179.53 5.39 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.689 -1.142 . . . . 45.44 109.527 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.514 -0.755 . . . . 64.33 109.78 175.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.758 0.789 . . . . 52.14 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -93.57 107.87 19.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.001 -1.454 . . . . 72.13 110.219 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 16.1 mm100 -115.78 127.95 55.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.532 0.682 . . . . 64.33 110.569 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.3 123.63 10.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.904 -1.044 . . . . 65.31 108.671 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -129.34 168.42 16.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.096 0.474 . . . . 74.44 111.399 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 34' ' ' GLU . 16.0 ptm180 -117.61 138.82 51.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 74.31 109.823 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 92.9 t80 -145.63 148.4 33.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.943 -0.762 . . . . 75.35 108.943 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -113.64 132.38 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.983 -0.377 . . . . 72.33 109.983 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.86 -143.43 10.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.195 -0.526 . . . . 42.35 112.158 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -103.45 149.58 24.68 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.911 0.386 . . . . 42.11 111.525 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.28 -44.6 53.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.563 -0.744 . . . . 75.45 111.573 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 4.0 tm-20 -52.37 -51.53 58.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.041 -0.527 . . . . 75.42 110.61 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.6 -38.6 91.75 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.801 -0.636 . . . . 73.54 110.73 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.1 m -56.34 -54.46 45.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.473 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -62.75 -40.76 98.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.72 -0.673 . . . . 72.1 111.234 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 2.2 mptm? -59.19 -50.83 72.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.834 0.349 . . . . 75.53 110.268 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -59.58 -39.0 82.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.895 -0.593 . . . . 65.54 110.311 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -67.18 -38.87 86.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.634 -0.712 . . . . 71.13 110.992 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.95 -43.23 75.44 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.407 -0.36 . . . . 50.15 110.145 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -58.85 -42.71 89.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 73.42 109.977 174.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.82 -41.53 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 72.34 110.88 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -67.73 -42.68 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.614 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 4.1 ptm180 -76.14 -19.42 58.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.733 -0.469 . . . . 62.21 109.733 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -69.9 -62.26 1.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.732 -0.667 . . . . 75.41 110.232 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.8 m -124.58 125.69 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.704 -0.225 . . . . 72.13 110.553 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.43 65.71 2.02 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 116.433 -0.349 . . . . 55.3 112.991 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.8 m -112.46 -159.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.534 -0.543 . . . . 55.13 109.534 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -112.86 99.73 8.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.061 -1.459 . . . . 74.25 107.061 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.5 p -128.14 141.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.506 -0.77 . . . . 65.22 112.114 -166.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -148.78 168.45 22.92 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.323 -0.853 . . . . 71.13 110.933 170.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' A' ' 18' ' ' ALA . 7.1 p -137.17 146.1 28.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.484 -1.235 . . . . 73.22 108.732 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -112.58 158.81 19.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.128 -0.693 . . . . 72.14 109.128 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 8.9 m -113.43 131.0 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.208 0.528 . . . . 71.05 111.299 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 6' ' ' ARG . 39.6 mt-10 -115.97 166.02 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 73.44 109.064 173.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.607 -0.711 . . . . 74.41 109.207 176.059 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 5.9 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.024 0.44 . . . . 73.22 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.761 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 10.4 mtmp? -118.19 144.97 45.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.725 -0.472 . . . . 71.44 109.725 177.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -151.39 148.69 28.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.699 0.285 . . . . 74.14 110.521 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.4 ptt180 -113.95 150.26 34.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.804 0.335 . . . . 64.11 110.589 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.9 mmm180 -141.22 168.34 20.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.714 -0.676 . . . . 75.13 109.263 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -140.01 135.03 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 72.23 109.928 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -124.56 141.61 51.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.489 -0.778 . . . . 74.25 109.3 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -113.88 136.05 53.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 74.32 110.84 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.75 -82.46 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.493 -0.643 . . . . 32.04 111.493 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.3 m -156.36 151.18 26.03 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.94 -0.393 . . . . 52.54 109.94 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.742 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.9 pt-20 -52.65 -40.15 62.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 54.42 112.037 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.85 -50.17 74.51 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 71.11 110.074 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -58.07 -41.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 53.31 110.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -62.27 -45.21 94.32 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.973 -0.558 . . . . 41.3 110.455 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 35.5 mtp180 -61.39 -46.47 90.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.554 -0.748 . . . . 65.24 110.658 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -58.33 -46.07 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 71.43 110.267 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -57.1 -41.18 78.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.64 -0.709 . . . . 73.31 110.331 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.73 88.02 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.961 -0.563 . . . . 61.34 111.385 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 28.2 mm-40 -62.16 -51.73 66.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.072 -0.513 . . . . 75.24 110.099 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -54.43 -46.55 73.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.67 -0.696 . . . . 74.42 110.409 176.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -52.65 63.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.298 -0.41 . . . . 74.42 111.266 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -65.46 -41.57 93.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.985 -0.552 . . . . 71.22 112.01 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 3.1 ptp180 -75.69 -24.19 56.25 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.728 0.299 . . . . 72.43 110.963 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 12.1 tpt180 -72.92 -50.69 22.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.046 0.45 . . . . 65.31 110.073 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -119.31 122.56 42.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.651 -0.704 . . . . 72.02 110.527 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 80.96 0.08 OUTLIER Glycine 0 C--N 1.335 0.476 0 O-C-N 123.409 0.443 . . . . 64.24 112.456 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.0 m -153.66 -169.67 3.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.865 0.466 . . . . 70.02 109.858 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 8.2 tp10 -112.99 102.34 10.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.695 -0.854 . . . . 74.25 108.695 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -113.68 125.94 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.875 -0.602 . . . . 70.23 109.965 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 42.8 tt0 -113.62 131.35 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.879 -0.6 . . . . 32.34 109.383 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 5' ' ' ARG . 98.5 t -114.12 146.7 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.222 0.534 . . . . 55.22 110.443 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.25 145.01 41.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.567 -1.272 . . . . 71.52 107.567 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.742 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 17.0 t -113.67 140.22 48.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.234 0.54 . . . . 41.24 112.164 -168.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.83 175.13 9.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.134 -0.939 . . . . 74.01 108.735 175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.453 -0.784 . . . . 60.15 110.419 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.102 0.477 . . . . 65.43 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.627 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 59.4 mttp -131.41 137.79 48.81 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.586 -0.734 . . . . 73.41 110.218 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 53.2 mt-30 -146.3 135.21 22.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 35.13 110.473 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -121.48 136.05 54.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.902 -0.777 . . . . 73.0 108.902 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -136.7 146.99 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 71.42 111.616 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -113.76 118.1 33.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.338 -0.986 . . . . 74.31 108.338 172.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -113.39 129.22 56.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.708 -0.479 . . . . 64.42 109.708 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.598 ' HG3' ' HB2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -113.47 130.05 56.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.224 -0.444 . . . . 71.44 109.861 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.4 -80.55 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.947 -0.861 . . . . 71.5 110.947 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.518 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 39.5 m -159.17 164.71 34.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 110.012 -0.366 . . . . 74.44 110.012 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 16.9 mm-40 -53.13 -60.05 3.77 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.612 0.57 . . . . 75.11 111.511 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.37 -40.38 82.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.517 -0.31 . . . . 74.31 111.009 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 10.7 mm-40 -58.6 -49.25 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 74.14 110.068 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.06 -49.58 76.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.177 -0.92 . . . . 35.21 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 96.8 mtt180 -61.97 -46.75 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 70.41 110.562 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.79 -39.72 89.94 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.145 -0.48 . . . . 64.54 110.819 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.51 -48.11 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.909 0.385 . . . . 72.3 110.148 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -45.93 84.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.599 -0.728 . . . . 74.15 110.427 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 14.9 tp10 -59.46 -52.37 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 64.23 110.542 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -51.58 -54.02 32.0 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.133 -0.485 . . . . 61.35 110.766 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 29' ' ' VAL . 30.8 tp -62.59 -39.36 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 64.41 110.78 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -68.78 -44.89 72.7 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.079 -0.509 . . . . 53.42 111.092 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.77 -26.87 55.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.719 0.295 . . . . 73.12 111.078 -178.104 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 45.3 ttp180 -77.81 -47.38 19.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.05 0.452 . . . . 74.23 110.524 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -126.67 112.99 16.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 71.43 110.528 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 74.04 0.45 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.99 -0.55 . . . . 72.54 112.334 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.9 m -120.18 -164.26 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.596 0.358 . . . . 64.13 110.419 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 7.8 tp10 -113.29 103.17 11.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.657 -0.868 . . . . 61.12 108.657 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.643 HG21 HD23 ' A' ' 21' ' ' LEU . 7.3 p -118.41 145.33 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 72.54 111.851 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -133.13 119.3 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.433 -0.803 . . . . 62.42 109.102 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.06 143.96 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.956 -0.387 . . . . 60.13 109.956 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.58 148.18 36.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.117 -0.697 . . . . 72.1 109.117 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.6 m -113.5 119.12 36.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 65.13 110.414 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' HB2' ' HG3' ' A' ' 8' ' ' ARG . 41.5 mt-10 -130.84 179.82 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.729 -0.669 . . . . 62.32 110.195 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.756 -0.64 . . . . 43.21 109.553 177.557 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.94 0.4 . . . . 65.52 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -115.67 130.14 56.75 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.135 -0.691 . . . . 71.43 109.135 171.616 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -113.95 150.89 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 74.14 111.242 -171.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.475 ' HD2' ' HB3' ' A' ' 30' ' ' GLU . 12.3 mmm180 -127.48 113.52 16.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 70.21 109.161 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.3 mmt180 -128.89 159.87 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.37 0.605 . . . . 73.13 111.105 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -132.31 141.81 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.65 -0.87 . . . . 74.24 108.65 172.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 13' ' ' GLU . 13.9 t80 -131.68 127.12 36.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.428 -0.582 . . . . 74.34 109.428 -177.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -113.61 130.26 56.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 75.41 110.283 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.68 -61.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.172 -0.771 . . . . 64.33 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.8 p -175.88 171.77 2.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 110.206 -0.294 . . . . 42.13 110.206 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -56.65 -46.59 80.96 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.103 -0.498 . . . . 61.11 110.055 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.61 -59.39 4.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 64.44 110.061 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 7.8 mm-40 -57.06 -53.0 63.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.228 -0.896 . . . . 62.05 111.942 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.65 -48.88 68.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 72.45 111.751 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -66.5 -38.06 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 70.11 111.021 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -64.39 -45.51 87.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.743 0.306 . . . . 71.13 110.256 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -55.0 -46.98 75.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.947 -0.569 . . . . 74.34 110.377 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.46 81.23 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.035 -0.53 . . . . 62.1 111.364 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -57.64 11.93 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.452 0.644 . . . . 52.03 109.638 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.32 -40.47 77.98 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.335 -0.848 . . . . 65.45 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -57.8 -54.34 47.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.866 0.365 . . . . 73.13 110.428 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -60.29 -45.0 94.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 42.04 111.276 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -79.99 -40.36 28.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.108 0.411 . . . . 64.54 112.108 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -82.38 -46.3 13.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.899 0.38 . . . . 63.44 111.644 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.1 m -75.83 126.59 31.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.315 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -77.51 62.37 3.48 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.833 -0.507 . . . . 51.13 111.833 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 57.0 m -164.98 -169.07 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.478 0.711 . . . . 75.32 109.379 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 47.5 tt0 -113.28 141.54 46.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.486 -0.931 . . . . 72.34 108.486 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.716 HG11 ' HB3' ' A' ' 21' ' ' LEU . 10.1 p -146.12 148.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.923 0.392 . . . . 61.34 111.282 -173.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -131.67 138.83 48.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.65 -1.241 . . . . 72.54 107.65 175.561 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 61.8 t -135.27 145.69 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.76 0.314 . . . . 74.14 111.346 -171.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -113.22 148.63 35.1 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.98 -0.555 . . . . 72.51 110.093 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.0 m -114.08 123.59 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 61.12 111.231 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.47 168.65 16.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.448 -0.575 . . . . 75.35 109.448 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.909 -0.567 . . . . 64.22 110.362 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 121.233 0.54 . . . . 75.54 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 93.0 mttt -114.52 133.53 55.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.032 -0.729 . . . . 74.41 109.032 174.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -133.81 146.82 51.01 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.95 0.405 . . . . 73.34 111.574 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 30' ' ' GLU . 21.1 mmt180 -117.75 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.614 -0.721 . . . . 70.03 109.644 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.539 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -118.87 164.8 14.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.558 -0.292 . . . . 50.12 110.567 -179.146 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -113.68 133.3 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.184 0.516 . . . . 72.12 110.453 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 29.7 t80 -131.88 130.14 41.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.966 -1.124 . . . . 72.33 107.966 175.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 29.3 ptt180 -113.55 134.96 54.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 73.14 110.198 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.15 -131.21 5.6 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 115.894 -0.593 . . . . 23.21 112.088 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 16.3 m -84.67 131.81 34.54 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.787 0.327 . . . . 51.34 110.965 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.937 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.7 pt-20 -64.2 -28.61 69.87 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.427 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.32 -48.43 78.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 109.527 -0.545 . . . . 64.24 109.527 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.542 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mm-40 -64.95 -40.85 95.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.342 -0.845 . . . . 72.12 110.434 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 7' ' ' TYR . 64.0 m -57.05 -43.78 82.36 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.828 -0.624 . . . . 60.23 110.717 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -67.49 -46.52 72.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.274 -0.421 . . . . 73.31 110.647 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 54.5 mtpt -53.06 -52.0 59.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.985 -0.552 . . . . 71.23 110.618 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.42 -49.51 76.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.095 -0.957 . . . . 65.01 111.317 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -54.14 -51.11 65.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.092 0.472 . . . . 75.44 111.145 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -64.02 -50.27 69.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.772 -0.649 . . . . 73.23 111.242 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 12.2 pt-20 -61.26 -49.35 77.44 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.735 0.302 . . . . 74.43 110.559 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 45.0 tp -60.69 -37.42 81.56 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.045 -0.525 . . . . 63.34 110.217 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -58.38 -57.78 11.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.813 -0.63 . . . . 74.1 110.381 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.9 ppt_? -73.84 -19.24 60.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.807 0.336 . . . . 71.54 111.325 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -70.89 -52.65 18.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.212 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -75.35 -42.09 55.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 70.42 111.271 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.09 -15.9 59.95 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 111.375 -0.69 . . . . 74.53 111.375 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.1 m -83.84 -164.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.65 0.38 . . . . 34.45 110.012 176.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 13.4 tp10 -113.67 127.24 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.545 -0.539 . . . . 52.24 109.545 175.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 21' ' ' LEU . 6.8 p -151.16 124.09 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.822 -0.626 . . . . 62.04 109.972 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -125.9 147.71 49.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.606 -0.887 . . . . 74.45 108.606 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.539 HG12 ' HB2' ' A' ' 5' ' ' ARG . 7.0 m -113.89 165.43 8.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.239 0.542 . . . . 70.34 109.842 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.49 143.0 45.25 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.114 -1.069 . . . . 65.12 108.114 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.937 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 5.5 t -113.31 110.42 20.33 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.352 -0.61 . . . . 60.31 109.352 -173.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 26.6 mt-10 -137.82 -178.93 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.549 -0.751 . . . . 70.24 110.378 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.33 -0.843 . . . . 72.52 109.477 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.22 0.533 . . . . 75.42 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 95.6 mttt -125.1 123.98 40.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.533 -0.758 . . . . 72.3 109.687 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -114.59 163.95 14.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 72.32 110.169 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 6.1 ptp180 -137.48 133.71 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.02 -0.733 . . . . 72.01 109.02 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.602 ' HD3' HD11 ' A' ' 21' ' ' LEU . 67.2 mtp85 -147.66 177.11 9.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.69 0.281 . . . . 73.01 111.007 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' H ' ' HD2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -131.75 152.8 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 64.14 110.722 -177.137 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.474 ' HE1' ' HB3' ' A' ' 13' ' ' GLU . 24.1 t80 -153.55 171.71 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.487 -0.931 . . . . 72.24 108.487 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -141.13 135.7 31.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.426 -0.213 . . . . 73.3 110.426 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.78 -152.82 24.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.049 -0.595 . . . . 75.02 112.669 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -101.62 179.33 4.37 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.068 0.461 . . . . 64.41 111.416 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.47 -43.15 75.24 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.368 -0.833 . . . . 73.33 111.774 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.07 -48.68 77.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.193 0.52 . . . . 64.13 110.105 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 36.7 mt-10 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.636 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.92 -52.12 66.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.063 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -60.36 -58.6 7.82 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.06 -0.518 . . . . 65.44 110.722 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -48.17 -53.12 17.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.415 -0.811 . . . . 75.41 111.289 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 84.4 t80 -57.2 -53.68 55.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 74.01 111.11 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.16 80.84 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.032 -0.531 . . . . 74.31 111.904 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.32 -48.98 75.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 45.43 110.648 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.91 -41.15 91.08 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.86 0.362 . . . . 74.44 110.391 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD11 ' HD3' ' A' ' 5' ' ' ARG . 3.8 tt -57.74 -50.77 72.11 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.821 -0.627 . . . . 74.02 109.975 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' OG ' HG12 ' A' ' 29' ' ' VAL . 19.2 m -60.83 -56.56 19.77 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.957 -0.565 . . . . 44.13 111.307 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.99 -25.44 67.09 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.992 -0.549 . . . . 73.13 111.695 -174.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -80.17 -58.55 3.09 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 71.14 110.776 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -66.04 -21.05 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 73.23 111.44 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.06 47.25 24.95 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.749 -0.94 . . . . 71.11 110.749 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -150.87 -175.44 5.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.056 -0.572 . . . . 61.43 110.551 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.7 tp10 -113.49 140.73 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.852 -1.166 . . . . 74.55 107.852 171.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OG ' ' A' ' 22' ' ' SER . 11.7 p -141.92 142.33 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.266 0.555 . . . . 74.25 111.49 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.7 mt-10 -113.79 120.83 42.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.803 -0.814 . . . . 65.11 108.803 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.84 144.87 23.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.664 -0.698 . . . . 65.25 109.537 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -112.93 142.22 45.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.164 -0.68 . . . . 71.34 109.164 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.0 m -113.49 135.39 53.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.311 0.577 . . . . 73.01 111.357 -172.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -119.89 174.17 6.61 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.867 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.565 -0.731 . . . . 73.41 109.577 -178.14 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.493 0.663 . . . . 45.33 110.273 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.3 tmmm? -120.21 110.65 16.85 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.11 -1.07 . . . . 74.2 108.11 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 24.1 tt0 -128.95 161.28 30.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.363 -0.38 . . . . 71.55 110.424 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.6 ttp180 -135.73 144.76 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.671 0.272 . . . . 64.44 110.482 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -136.54 174.3 10.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.097 -0.501 . . . . 64.43 110.339 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -129.51 125.62 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.03 -0.359 . . . . 71.52 110.03 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -113.82 158.55 20.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.619 -0.882 . . . . 73.4 108.619 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -113.62 124.71 52.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 73.43 110.251 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 -141.01 7.98 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 116.008 -0.542 . . . . 62.44 111.953 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -108.35 169.56 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.218 -0.29 . . . . 63.14 110.218 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -36.35 83.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.452 -0.34 . . . . 71.44 111.143 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.93 -51.55 65.74 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.478 0.656 . . . . 74.45 110.13 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.51 -39.12 92.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.27 -0.877 . . . . 62.21 110.414 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.76 -46.52 88.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.501 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.57 -54.31 34.07 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.0 -0.545 . . . . 75.51 110.959 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -56.57 -46.12 80.94 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.718 0.294 . . . . 51.25 110.619 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -57.21 -48.58 78.44 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.846 -0.615 . . . . 73.41 110.788 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.79 89.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.392 -0.367 . . . . 64.52 111.256 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.25 -51.8 61.83 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.246 0.546 . . . . 71.24 109.62 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 47.8 mt-10 -62.99 -40.38 97.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 73.23 110.613 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.65 -44.29 97.25 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.774 -0.648 . . . . 63.33 110.202 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -63.68 -51.67 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 65.34 110.716 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.6 ptp180 -66.78 -30.63 70.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.651 0.262 . . . . 72.34 110.86 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.25 -49.46 64.32 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.853 0.358 . . . . 72.33 110.093 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.4 p -74.19 -29.15 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 61.54 110.697 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.38 79.44 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-N 115.962 -0.563 . . . . 60.11 111.887 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 73.0 m -127.48 -159.11 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.617 0.367 . . . . 72.33 110.018 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 36.4 tt0 -113.69 113.82 25.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.083 0.468 . . . . 73.2 110.22 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 43.4 t -127.08 137.36 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 65.35 110.522 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 46.7 tt0 -113.73 152.56 30.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.871 -0.789 . . . . 73.24 108.871 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.76 148.06 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 72.03 110.359 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.89 163.61 14.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.79 -0.818 . . . . 62.31 108.79 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.38 125.77 54.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.166 0.508 . . . . 73.34 110.953 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.97 164.44 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 74.13 109.332 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.937 -0.554 . . . . 63.22 110.47 178.044 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 25.7 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.047 0.451 . . . . 52.32 110.455 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -112.74 128.44 56.42 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.426 -0.583 . . . . 71.34 109.426 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -122.98 130.41 52.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.171 0.51 . . . . 73.0 110.034 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -115.84 117.89 31.46 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.318 -0.993 . . . . 72.25 108.318 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HB2' HG22 ' A' ' 31' ' ' VAL . 35.1 mmt180 -113.39 138.29 50.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 72.41 111.193 -170.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -113.75 103.27 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.384 -0.969 . . . . 65.21 108.384 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 69.7 t80 -113.59 148.46 36.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.165 -173.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -117.82 112.26 20.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 73.34 109.974 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.3 179.39 43.13 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.686 -0.688 . . . . 22.54 111.389 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -83.39 171.04 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.582 0.23 . . . . 73.44 110.991 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -46.82 -41.66 15.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.778 -0.646 . . . . 74.02 112.019 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.95 -52.4 56.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.641 -0.254 . . . . 63.3 110.569 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.6 -42.14 70.76 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.956 0.408 . . . . 72.12 110.345 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.9 m -56.74 -54.16 49.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.666 -0.697 . . . . 73.42 110.768 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -60.6 -44.68 95.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.448 -0.342 . . . . 75.42 111.294 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.94 -59.53 4.97 Favored 'General case' 0 N--CA 1.422 -1.833 0 C-N-CA 123.695 0.798 . . . . 72.04 110.918 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.06 -47.6 85.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.403 -0.817 . . . . 72.35 110.925 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.7 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.975 -0.557 . . . . 63.31 111.421 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.87 -46.15 69.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.494 -0.321 . . . . 65.0 110.705 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.04 -47.56 74.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.942 0.401 . . . . 74.43 110.753 176.408 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.91 -50.21 71.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.026 -0.534 . . . . 72.31 110.24 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -64.92 -34.19 77.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.939 -0.573 . . . . 74.33 111.306 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 6.5 ptm180 -82.07 -25.09 34.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.072 0.463 . . . . 74.33 109.922 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.48 -48.57 66.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.77 -0.65 . . . . 74.42 110.502 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -111.76 117.73 33.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 70.11 111.217 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.89 77.85 0.15 Allowed Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.129 -0.487 . . . . 13.34 111.977 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 1.7 m -151.23 -165.54 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.886 0.474 . . . . 45.04 110.201 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -113.35 110.86 21.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.212 -0.662 . . . . 72.23 109.212 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.21 126.7 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.026 -0.534 . . . . 63.4 110.902 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -114.45 122.81 47.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.071 -0.714 . . . . 75.23 109.071 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 5' ' ' ARG . 57.2 t -116.69 133.91 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.779 0.323 . . . . 75.5 111.011 -176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.2 156.91 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.024 -0.732 . . . . 63.21 109.024 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 62.7 m -126.17 138.24 53.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.101 0.477 . . . . 74.45 112.031 -172.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -133.37 -179.81 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.669 -0.864 . . . . 74.14 108.669 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.73 -0.652 . . . . 74.23 110.629 -178.586 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 2.2 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.407 0.622 . . . . 54.52 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 67.9 mttm -122.97 95.16 4.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.17 -0.923 . . . . 72.23 108.554 174.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -114.06 174.26 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.703 -0.48 . . . . 62.03 109.703 -171.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.573 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 6.2 ptp85 -150.12 152.72 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 75.51 112.008 -177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.04 161.48 33.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.362 -0.836 . . . . 74.42 110.073 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 6' ' ' ARG . 45.9 mtm180 -113.54 112.76 24.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.203 -0.665 . . . . 70.3 109.203 173.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -113.55 145.12 41.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.387 -0.824 . . . . 71.35 110.266 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -114.07 131.15 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.172 -0.306 . . . . 71.22 110.172 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.53 -158.74 30.57 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.624 -0.59 . . . . 72.12 111.624 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -79.62 152.58 29.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.251 -0.277 . . . . 65.33 110.251 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.7 mt-10 -48.43 -50.43 31.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.85 0.46 . . . . 74.12 110.841 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.35 -44.56 92.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 62.25 110.815 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.19 -37.34 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.639 . . . . 74.43 110.452 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -65.6 -42.21 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 74.13 110.167 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 24.6 mmm180 -67.74 -35.91 79.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 74.14 110.348 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 3.5 tppp? -71.94 -40.34 68.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.787 -0.642 . . . . 71.23 109.602 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -59.23 -44.49 92.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.444 -0.798 . . . . 72.14 109.534 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.12 46.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.282 -0.872 . . . . 65.51 111.662 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.0 pt-20 -62.84 -44.2 96.76 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.486 -0.325 . . . . 54.22 110.738 -176.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.1 -52.24 66.35 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.502 -0.317 . . . . 75.22 110.643 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 29' ' ' VAL . 4.1 mt -57.91 -44.0 86.56 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.206 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -69.27 -35.66 76.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.459 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 23' ' ' ARG . 5.3 ptp180 -82.17 -31.11 30.62 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.776 0.322 . . . . 63.01 110.697 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -68.67 -47.57 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.205 0.526 . . . . 72.01 110.134 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -95.2 133.87 38.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.481 -0.781 . . . . 73.42 109.873 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.04 56.74 3.15 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.162 -0.542 . . . . 32.5 111.839 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 93.6 m -154.0 -169.73 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.175 -0.676 . . . . 55.01 109.175 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 36.8 tt0 -113.77 126.75 55.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.565 -0.531 . . . . 62.53 109.565 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 21' ' ' LEU . 60.6 t -125.85 137.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.989 -0.55 . . . . 72.22 109.832 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 33.2 tt0 -113.75 143.8 44.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.812 -0.81 . . . . 74.04 108.812 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.61 146.3 29.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.26 0.552 . . . . 74.53 110.501 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -112.8 139.88 48.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.6 -1.259 . . . . 73.05 107.6 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -113.5 113.94 25.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.986 0.422 . . . . 35.11 110.864 -170.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.03 156.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.734 . . . . 63.31 109.167 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.601 -0.714 . . . . 70.41 109.962 -179.044 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.05 0.452 . . . . 72.45 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 65.6 mttp -108.07 133.36 52.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.26 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -137.53 163.81 30.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.258 -0.428 . . . . 74.43 109.976 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 30' ' ' GLU . 55.1 mtp85 -146.22 133.44 20.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.846 0.355 . . . . 71.44 110.588 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -114.91 -179.96 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 60.11 109.575 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -131.79 153.07 50.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.868 0.366 . . . . 74.12 110.731 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.23 140.2 23.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 64.34 109.385 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -113.84 133.34 55.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.895 0.379 . . . . 75.43 110.758 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.78 -137.44 5.08 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.324 -0.71 . . . . 63.32 111.324 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -96.31 152.04 18.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.164 -0.31 . . . . 44.34 110.164 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -49.81 -44.92 49.5 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.417 -0.356 . . . . 71.05 111.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.74 -50.85 67.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.057 -0.52 . . . . 71.1 110.189 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.11 -43.72 91.94 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.642 -0.708 . . . . 73.33 110.461 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.24 -48.25 82.31 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.871 -0.604 . . . . 75.33 110.87 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -67.62 -42.34 82.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 74.31 111.611 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -67.49 -38.86 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.944 -0.302 . . . . 72.31 110.836 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.7 -42.88 97.92 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.315 -0.624 . . . . 65.01 109.315 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . . . -59.51 -46.55 88.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.773 -0.648 . . . . 74.33 110.956 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.85 -51.61 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.757 -0.656 . . . . 74.22 110.772 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.8 -44.38 90.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 70.22 110.83 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 tp -64.85 -38.31 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.308 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.3 t -64.04 -45.94 86.64 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.767 -0.651 . . . . 75.35 110.886 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.09 -25.65 52.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.253 -0.431 . . . . 71.43 111.049 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -75.91 -48.53 20.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 72.52 111.39 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -77.64 136.6 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 62.2 111.451 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -79.28 60.83 4.23 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 111.829 -0.508 . . . . 72.44 111.829 176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 18.0 m -169.16 -164.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.308 0.643 . . . . 64.54 109.734 -177.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.5 tp10 -113.6 99.89 8.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.351 -0.981 . . . . 73.11 108.351 173.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.04 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 75.02 110.592 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.794 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 38.6 mt-10 -118.17 -179.71 3.85 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.812 0.815 . . . . 74.21 110.798 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 93.4 t -139.7 154.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-N 114.035 -1.439 . . . . 71.12 109.858 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -113.13 149.63 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.131 -1.063 . . . . 65.44 108.131 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.6 t -113.48 126.59 55.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 74.01 110.684 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.31 -179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.929 -0.767 . . . . 54.25 108.929 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 110.116 -0.328 . . . . 72.54 110.116 177.375 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.19 -0.3 . . . . 72.41 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.9 tppt? -122.35 137.05 54.99 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.657 0.383 . . . . 63.03 109.997 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.911 -0.774 . . . . 74.11 108.911 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.611 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 75.6 mtp180 -113.96 127.94 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.796 0.331 . . . . 74.31 110.494 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -132.26 153.64 50.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.089 -0.505 . . . . 74.3 110.464 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -113.71 125.98 54.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.765 -0.828 . . . . 54.2 108.765 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 51.6 t80 -131.04 154.56 48.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.782 -0.644 . . . . 75.54 109.714 -168.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 5.5 ptm180 -113.82 129.39 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.599 -0.519 . . . . 63.23 109.599 174.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.06 167.95 28.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.582 -0.818 . . . . 70.42 112.937 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 12.8 m -62.22 158.94 15.88 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.464 0.306 . . . . 72.42 110.403 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.1 mt-10 -49.04 -46.66 44.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.962 0.411 . . . . 73.33 110.471 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 46.6 mt-10 -57.58 -49.76 75.34 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.631 -0.713 . . . . 74.34 111.013 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 33.0 mm-40 -56.86 -39.98 75.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.13 0.491 . . . . 73.31 110.126 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -63.81 -41.7 97.84 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.4 -0.818 . . . . 74.42 110.237 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 23.9 mmt180 -60.82 -53.43 57.39 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.238 0.542 . . . . 71.45 110.231 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 27.9 mtpp -57.97 -48.01 81.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.998 -1.001 . . . . 74.23 110.772 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.42 -45.57 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.921 -0.581 . . . . 73.14 110.473 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.2 71.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 64.42 110.949 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.32 -51.71 66.56 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.463 -0.335 . . . . 70.44 110.489 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -50.67 -49.74 56.49 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.047 -0.524 . . . . 72.33 111.176 -178.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -71.12 -37.62 72.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.228 -0.442 . . . . 64.0 110.709 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -66.58 -37.71 85.5 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.44 -0.346 . . . . 70.13 110.704 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -81.99 -33.51 30.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.652 0.263 . . . . 74.42 110.575 178.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -64.33 -48.5 75.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.079 -0.51 . . . . 72.02 110.826 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.8 p -105.38 131.84 52.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 60.24 110.529 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.65 72.63 0.82 Allowed Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.985 -0.446 . . . . 23.51 111.985 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.8 m -155.64 -166.1 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.831 0.452 . . . . 70.34 109.892 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 10.8 tp10 -113.6 126.16 54.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.818 -1.179 . . . . 75.13 107.818 174.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -113.95 141.39 30.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.274 0.559 . . . . 75.44 110.9 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.611 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 23.5 tt0 -134.57 115.6 14.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.117 -0.947 . . . . 74.5 108.919 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 33' ' ' CYS . 60.6 t -113.68 132.48 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 60.2 110.31 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.66 114.82 26.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.612 -1.255 . . . . 64.33 107.612 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -113.24 134.99 54.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 62.23 112.037 -165.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 30.6 mt-10 -131.7 -179.5 5.42 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.132 -0.94 . . . . 65.24 109.499 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.606 -0.712 . . . . 73.53 109.418 171.084 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.47 0.652 . . . . 73.21 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 62.9 tttp -129.01 130.3 46.46 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.104 -0.953 . . . . 63.41 109.497 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -138.33 147.85 43.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 9.6 ptm180 -113.82 141.56 47.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 63.02 110.12 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 31' ' ' VAL . 1.3 mmp_? -132.85 164.81 26.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 73.52 109.576 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -131.91 119.11 20.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.192 -0.67 . . . . 74.33 109.192 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.7 t80 -117.87 152.53 35.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.307 -0.627 . . . . 74.44 109.307 -175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.27 144.58 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.228 -0.286 . . . . 64.34 110.228 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -64.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.064 -0.815 . . . . 64.03 111.064 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -169.46 143.76 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.204 -0.665 . . . . 75.41 109.204 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 35.2 mt-10 -50.01 -36.13 27.37 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.733 0.302 . . . . 75.42 111.309 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 43.1 tt0 -64.24 -60.33 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.179 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.2 -26.7 68.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.86 0.362 . . . . 73.45 110.353 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.39 -53.22 38.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.037 -0.529 . . . . 72.34 110.897 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.99 -35.05 79.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.693 -0.403 . . . . 74.14 110.402 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.1 mmmm -58.23 -55.26 37.33 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.429 -0.582 . . . . 65.4 109.429 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 t80 -49.26 -47.93 46.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.626 -0.715 . . . . 61.33 110.151 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 -63.36 1.33 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.661 -0.699 . . . . 72.33 112.085 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.93 -35.58 81.63 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.774 0.321 . . . . 73.1 111.194 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 48.6 mt-10 -70.85 -33.8 71.01 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.75 0.31 . . . . 63.24 110.399 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG11 ' A' ' 29' ' ' VAL . 4.6 tt -64.23 -41.91 96.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.829 -0.804 . . . . 65.11 108.829 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 t -70.51 -33.28 71.03 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.708 -0.678 . . . . 64.12 111.627 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.4 ptm180 -76.62 -31.92 57.72 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.923 -0.399 . . . . 72.44 109.923 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -67.93 -71.61 0.2 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.241 0.543 . . . . 75.23 110.283 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 m -91.63 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.63 -0.714 . . . . 71.55 110.15 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.11 73.86 0.38 Allowed Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.212 -0.518 . . . . 75.11 112.476 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -152.29 173.65 14.76 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.988 0.423 . . . . 65.23 110.566 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 35.3 tt0 -113.86 115.16 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.822 -0.807 . . . . 72.01 108.822 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 21' ' ' LEU . 7.5 p -113.69 128.53 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 75.02 109.903 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 39.7 tt0 -113.62 112.68 23.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.739 -0.838 . . . . 74.04 108.739 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 5' ' ' ARG . 59.8 t -113.77 143.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.015 0.436 . . . . 61.31 110.86 -172.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.1 139.43 48.72 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.095 -1.076 . . . . 64.42 108.095 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 38.3 t -113.77 137.18 52.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.115 0.483 . . . . 62.32 112.017 -169.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.2 -179.87 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 73.33 108.612 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.803 -0.618 . . . . 74.24 110.025 176.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 49.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.851 0.358 . . . . 60.21 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -112.83 118.13 34.08 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.423 -0.584 . . . . 73.05 109.423 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -113.37 127.64 56.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 72.02 110.186 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -115.72 107.13 14.69 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.529 -1.286 . . . . 71.23 107.529 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.81 154.05 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.538 . . . . 65.54 111.812 -166.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -119.15 110.66 17.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.006 -0.997 . . . . 55.12 109.046 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -119.58 142.91 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.464 -0.939 . . . . 73.05 108.464 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -122.7 141.13 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 75.51 111.247 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.08 -89.08 0.14 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.132 -0.787 . . . . 63.23 111.132 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -152.95 149.45 28.24 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.401 -0.592 . . . . 70.03 109.401 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.95 -29.94 44.71 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.277 0.361 . . . . 71.21 110.566 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -55.71 -61.64 2.23 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.008 -0.542 . . . . 71.22 110.0 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.27 -44.36 75.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.682 -0.69 . . . . 73.04 110.937 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.2 m -66.03 -43.26 88.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.623 -0.717 . . . . 45.4 111.472 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -75.06 -27.16 59.88 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 122.491 -0.13 . . . . 62.24 110.951 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -65.76 -46.9 77.07 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.713 -0.477 . . . . 72.34 109.713 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -57.68 -48.19 80.23 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.581 -0.736 . . . . 70.31 109.977 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.36 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.747 -0.66 . . . . 44.55 111.258 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.88 -60.89 2.83 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.953 -0.567 . . . . 73.23 110.668 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.92 -43.62 81.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 60.54 111.175 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -62.67 -50.25 71.9 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.97 0.414 . . . . 72.42 110.417 -177.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -64.85 -38.31 90.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.951 -0.568 . . . . 61.42 111.308 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.14 -21.75 36.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.053 -0.259 . . . . 71.2 110.922 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -73.11 -53.05 12.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.99 0.424 . . . . 62.02 110.329 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.8 p -117.61 135.76 53.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 71.15 110.597 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.35 68.82 0.9 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.298 -0.477 . . . . 64.24 112.068 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 5.9 t -136.6 177.85 7.53 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.467 -0.568 . . . . 63.43 109.467 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -113.88 118.47 34.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 72.02 110.111 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 21' ' ' LEU . 5.8 p -135.29 126.8 46.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 52.42 110.882 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.91 132.93 55.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.797 -0.816 . . . . 71.41 108.797 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.4 137.07 55.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.213 -0.449 . . . . 43.22 110.137 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.05 140.71 47.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.842 -0.799 . . . . 73.45 108.842 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.73 123.46 49.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.922 -167.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.73 160.04 19.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.011 -0.54 . . . . 53.33 109.669 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.483 -0.77 . . . . 61.14 109.955 179.036 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.566 0.222 . . . . 61.21 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -129.47 86.73 2.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.189 -1.041 . . . . 74.45 108.189 168.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 7.4 tt0 -141.29 153.34 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.497 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 86.5 mtt180 -126.03 164.79 20.07 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.019 0.437 . . . . 72.1 111.645 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -138.66 157.85 45.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.416 -0.811 . . . . 75.11 109.818 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -116.39 117.75 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.594 -0.521 . . . . 70.11 109.594 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.546 ' HD1' ' SG ' ' A' ' 14' ' ' CYS . 73.6 t80 -113.89 145.03 42.06 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.531 . . . . 74.03 109.565 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -120.19 129.28 54.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.087 0.47 . . . . 72.43 110.419 -179.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.27 -118.86 0.88 Allowed Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 111.547 -0.621 . . . . 23.43 111.547 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -111.54 146.34 37.48 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.755 0.312 . . . . 63.41 110.901 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.53 -35.65 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.708 -0.678 . . . . 75.31 110.404 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.06 -56.65 16.03 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.934 -0.576 . . . . 75.13 110.615 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.43 -47.1 86.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.442 -0.799 . . . . 75.42 110.087 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.546 ' SG ' ' HD1' ' A' ' 7' ' ' TYR . 58.7 m -59.02 -50.21 74.95 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.542 -0.754 . . . . 54.44 111.419 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.38 -54.58 30.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.484 -0.325 . . . . 73.51 110.973 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.16 -41.67 88.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.397 -0.365 . . . . 72.4 111.271 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.41 -43.87 96.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 74.35 110.203 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.32 48.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.664 -0.698 . . . . 75.14 111.127 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 7.6 pt-20 -64.76 -44.09 91.21 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.558 -0.292 . . . . 75.3 111.292 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.5 mt-10 -56.97 -53.29 59.71 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.088 0.47 . . . . 64.43 110.369 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.35 -39.24 92.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 74.31 110.597 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -70.24 -34.49 72.92 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.059 -0.519 . . . . 65.44 111.299 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.43 -25.32 33.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.923 0.392 . . . . 65.51 110.455 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -70.37 -53.43 16.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.875 -0.602 . . . . 71.44 109.805 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -93.62 121.69 35.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.447 -0.797 . . . . 74.23 109.86 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.21 65.87 1.25 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.249 -0.5 . . . . 73.52 112.813 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -157.55 -167.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.319 -0.623 . . . . 74.11 109.319 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -113.34 99.82 8.08 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.808 0.813 . . . . 74.35 110.669 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.7 p -120.99 123.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.016 -0.993 . . . . 75.33 109.295 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 35.5 tt0 -114.14 148.34 37.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.957 -0.565 . . . . 63.43 110.052 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.28 141.73 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.428 -0.582 . . . . 74.42 109.428 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.38 147.41 37.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.66 -0.867 . . . . 70.21 108.66 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -113.66 126.36 55.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 65.41 111.753 -168.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -114.21 162.91 15.94 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.535 -0.757 . . . . 63.43 109.52 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.574 -0.726 . . . . 73.1 110.399 176.601 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.175 0.512 . . . . 44.15 110.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -121.07 121.29 37.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.451 -0.795 . . . . 75.44 109.672 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 95.3 mt-30 -126.21 147.91 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.619 -0.511 . . . . 72.15 109.619 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.9 ptm180 -133.73 130.68 38.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.153 -0.684 . . . . 73.44 109.153 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -129.04 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.358 0.599 . . . . 72.44 111.695 -170.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.54 ' H ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -134.52 122.73 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.269 -0.878 . . . . 61.44 109.242 -177.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 67.5 t80 -136.56 144.51 44.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.341 -0.615 . . . . 73.42 109.341 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 6.8 ppt_? -114.07 124.33 51.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.418 0.628 . . . . 74.23 110.91 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.99 -178.78 39.26 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.647 -0.981 . . . . 52.34 110.647 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -65.77 148.24 52.09 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.164 0.507 . . . . 60.14 111.192 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 48.3 mt-10 -55.6 -49.76 71.94 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 115.474 -0.785 . . . . 71.54 111.503 -175.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.17 -58.79 6.24 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.048 0.218 . . . . 75.04 111.3 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -59.27 -36.9 76.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.575 0.226 . . . . 53.23 110.598 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' TYR . 46.2 t -65.01 -42.32 94.57 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.963 0.411 . . . . 62.53 111.034 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.66 ' NH1' ' SG ' ' A' ' 33' ' ' CYS . 10.2 mpt_? -64.69 -47.72 77.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.355 . . . . 74.44 110.644 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.78 -27.92 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.309 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 80.3 t80 -63.62 -51.02 67.06 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.396 -0.594 . . . . 75.13 109.396 173.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -58.29 -42.6 86.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.942 176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.86 -61.22 2.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.641 -0.709 . . . . 62.43 110.461 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.83 -40.98 81.31 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 123.717 0.807 . . . . 75.42 111.13 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.12 -51.48 67.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.628 -0.714 . . . . 63.25 111.026 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.7 t -69.89 -33.94 72.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.121 -0.49 . . . . 62.12 111.406 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -79.52 -31.59 42.16 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 121.061 -0.256 . . . . 74.34 110.702 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -77.2 -55.62 5.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.865 0.364 . . . . 75.42 110.313 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -91.84 130.62 37.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 64.31 109.869 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 74.13 0.12 Allowed Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.321 -0.466 . . . . 64.34 112.638 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -155.33 171.26 20.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.815 -0.439 . . . . 52.13 109.815 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.61 126.21 55.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.402 -0.962 . . . . 65.44 108.402 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 9.6 p -126.93 135.08 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 74.4 111.767 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 36.8 tt0 -113.72 108.54 17.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.299 -1.0 . . . . 72.2 108.299 171.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG12 ' HB2' ' A' ' 18' ' ' ALA . 9.0 p -113.55 136.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.229 -0.656 . . . . 75.21 109.229 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.8 136.11 52.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.681 -0.859 . . . . 73.1 108.681 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' NH1' ' A' ' 15' ' ' ARG . 3.2 m -113.68 121.29 43.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.908 -0.587 . . . . 71.21 111.544 -164.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -113.82 173.57 6.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.551 -0.749 . . . . 71.23 109.403 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.011 -0.518 . . . . 74.1 110.722 -179.286 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.593 0.235 . . . . 74.2 110.553 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 97.2 mttt -123.24 146.54 47.76 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.107 -0.331 . . . . 51.25 110.107 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 36.2 tt0 -159.92 150.83 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 64.22 110.908 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -122.79 127.53 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.334 -0.617 . . . . 72.22 109.334 172.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -113.89 174.89 5.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.967 -0.753 . . . . 73.42 108.967 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -143.82 130.78 20.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.346 0.593 . . . . 73.22 111.011 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -113.9 154.69 27.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.674 -1.148 . . . . 61.12 108.376 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 34' ' ' GLU . 36.2 mtm180 -113.55 121.96 45.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.023 0.374 . . . . 65.15 110.486 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 -155.81 26.64 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.775 -0.648 . . . . 65.22 111.483 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -69.53 137.83 52.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 110.03 -0.359 . . . . 53.31 110.03 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.76 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -49.71 -36.06 24.06 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 123.413 0.446 . . . . 70.24 111.147 -179.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.592 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 43.2 tt0 -61.15 -49.18 78.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.586 -0.734 . . . . 73.44 110.183 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.2 -42.85 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.101 -0.5 . . . . 72.3 110.385 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.79 -46.35 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 74.22 110.49 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 22.4 mmt180 -75.39 -26.23 58.29 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.143 -0.481 . . . . 75.22 111.591 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 97.3 mttt -60.58 -52.08 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.978 -0.749 . . . . 73.43 108.978 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.25 -43.0 87.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 75.25 110.432 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.87 39.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.345 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 73.1 mm-40 -56.42 -55.19 36.7 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.906 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.52 -53.92 50.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.483 -0.78 . . . . 74.34 110.996 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.6 -43.65 98.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.001 -0.545 . . . . 63.43 110.848 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -64.04 -38.96 92.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.47 . . . . 62.41 111.257 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -25.28 34.87 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.861 -0.336 . . . . 71.33 111.143 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -73.64 -45.33 53.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.753 0.311 . . . . 73.11 110.883 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.5 p -82.79 167.67 17.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 64.03 111.414 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.87 16.13 60.73 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.025 -0.83 . . . . 63.35 111.025 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.8 m -111.01 -179.86 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.766 0.427 . . . . 42.21 110.547 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.509 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 35.9 tt0 -113.63 99.49 7.77 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.766 -0.828 . . . . 63.43 108.766 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 6.1 p -126.75 127.58 70.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.021 -0.536 . . . . 42.45 110.643 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -116.68 160.28 20.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.213 -0.662 . . . . 64.15 109.213 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -123.03 150.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.029 0.443 . . . . 71.23 110.512 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -113.14 154.09 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.996 -1.113 . . . . 72.43 107.996 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.76 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 7.0 t -115.05 114.27 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.406 . . . . 61.31 110.845 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 8' ' ' ARG . 39.1 mm-40 -113.85 179.56 3.92 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.428 -0.805 . . . . 53.25 110.078 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.862 . . . . 62.21 109.083 172.557 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.78 0.324 . . . . 44.04 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -140.39 139.26 35.26 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.569 -0.53 . . . . 74.32 109.569 177.271 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -129.58 155.01 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.194 -0.298 . . . . 74.31 110.194 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -136.15 119.44 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.84 -0.43 . . . . 72.51 109.84 171.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.01 175.43 5.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.821 -0.437 . . . . 65.2 109.821 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -137.06 154.25 50.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 75.44 110.748 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -140.77 162.16 36.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.878 -0.601 . . . . 74.33 110.675 -169.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -137.58 123.76 20.46 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.435 0.694 . . . . 71.54 109.326 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.48 0.21 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.074 -0.584 . . . . 54.34 112.584 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 p 179.8 158.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.665 0.386 . . . . 71.1 109.998 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HG3' ' N ' ' A' ' 12' ' ' GLU . 5.6 pt-20 -54.08 -42.19 69.06 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.086 0.241 . . . . 65.34 111.644 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 9.2 tp10 -61.64 -58.84 6.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.568 0.223 . . . . 75.15 111.114 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.62 -26.45 68.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.037 -0.265 . . . . 64.5 110.624 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.93 -40.88 87.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.142 0.496 . . . . 52.22 109.937 171.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -65.03 -40.81 95.39 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 115.738 -0.665 . . . . 75.13 110.197 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 25.6 mtpp -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 72.34 110.24 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.27 -47.47 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.531 -0.544 . . . . 71.14 109.531 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.27 -39.8 95.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.476 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.76 -60.52 3.57 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.254 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.9 mm-40 -57.32 -50.85 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.362 -0.835 . . . . 70.12 110.884 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 29' ' ' VAL . 22.2 tp -58.1 -47.05 84.43 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.993 -0.548 . . . . 71.23 110.88 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -64.62 -48.01 76.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.787 -0.642 . . . . 61.1 110.892 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 8.8 ptm180 -72.99 -21.05 60.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.255 -0.43 . . . . 72.03 110.509 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -79.78 -46.52 16.83 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.436 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -88.36 162.15 16.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.23 0.538 . . . . 51.4 111.973 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.73 7.16 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.889 -0.884 . . . . 71.22 110.889 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.6 m -119.54 -167.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.469 . . . . 65.42 110.706 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp10 -113.29 120.79 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.175 -1.046 . . . . 65.23 108.175 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 21' ' ' LEU . 95.3 t -114.17 138.66 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.372 0.606 . . . . 72.44 111.79 -172.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 9.2 tp10 -122.54 146.91 46.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.654 -1.239 . . . . 54.21 107.654 173.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 18' ' ' ALA . 5.4 p -144.74 145.81 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 71.02 111.181 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -113.54 130.98 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.131 -0.94 . . . . 74.42 108.473 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -113.88 135.54 53.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.24 0.459 . . . . 71.02 112.24 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -113.45 150.06 33.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.868 -1.16 . . . . 74.42 107.868 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.249 1.059 0 N-CA-C 109.199 -0.667 . . . . 63.43 109.199 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.469 0.652 . . . . 44.42 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.5 mtmp? -99.31 117.19 33.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.381 -0.827 . . . . 72.21 109.151 169.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -113.93 158.95 20.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.519 0.199 . . . . 65.23 110.548 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.594 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 33.7 mtp-105 -133.91 119.96 19.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.238 -0.653 . . . . 73.2 109.238 172.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -120.44 152.61 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.188 -0.301 . . . . 73.15 110.188 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -113.67 136.0 53.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.78 -0.452 . . . . 71.52 109.78 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -133.19 146.85 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 64.21 109.331 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -113.66 119.85 38.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.858 -0.423 . . . . 75.11 109.858 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.81 36.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.069 -0.586 . . . . 40.33 112.348 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 p -91.6 175.39 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.237 0.542 . . . . 74.13 112.035 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.97 -51.76 9.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.811 -1.086 . . . . 74.13 112.709 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -36.97 82.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 110.211 -0.292 . . . . 74.22 110.211 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.32 -42.17 98.23 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 73.23 109.669 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.48 -44.75 96.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.404 -0.816 . . . . 71.14 110.565 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -61.35 -44.56 96.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.0 -0.545 . . . . 71.11 110.98 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.12 -60.5 3.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 73.41 110.664 178.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -55.18 -44.95 75.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 75.44 111.042 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 73.45 111.36 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.42 -45.54 87.1 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.397 -0.365 . . . . 75.51 110.637 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 68.9 mm-40 -59.45 -49.93 75.91 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.344 0.592 . . . . 62.44 109.85 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 29' ' ' VAL . 27.0 tp -58.56 -34.76 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.255 -0.884 . . . . 65.32 110.562 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -69.07 -46.49 67.68 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.086 -0.507 . . . . 65.11 110.715 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -73.84 -18.79 60.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.981 0.42 . . . . 63.53 110.587 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -81.29 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 73.13 111.104 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -113.22 112.65 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.037 -0.528 . . . . 75.21 110.764 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.41 70.36 1.09 Allowed Glycine 0 C--N 1.332 0.342 0 CA-C-N 116.047 -0.524 . . . . 62.24 112.04 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 86.4 m -150.35 -162.04 1.47 Allowed 'General case' 0 C--O 1.241 0.607 0 C-N-CA 122.807 0.443 . . . . 73.44 109.996 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.2 tp10 -113.62 139.87 48.67 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.003 -0.74 . . . . 63.52 109.003 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 21' ' ' LEU . 10.2 p -151.44 143.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.582 0.706 . . . . 71.24 111.881 -175.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 13.3 tp10 -113.35 134.52 54.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.849 -1.069 . . . . 75.24 108.232 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 139.44 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.721 -0.474 . . . . 74.13 109.721 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 143.6 44.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 63.45 109.425 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -115.22 116.58 28.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.659 0.266 . . . . 41.41 110.853 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.3 146.7 40.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.065 0.459 . . . . 64.23 110.725 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.321 -0.854 . . . . 74.14 109.038 178.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.451 0.167 . . . . 73.4 111.185 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -80.53 111.03 16.56 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.45 -0.574 . . . . 75.34 109.45 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.506 ' HB3' HG22 ' A' ' 29' ' ' VAL . 27.3 tt0 -132.29 149.03 52.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 71.15 110.643 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 32.0 mtp180 -129.53 134.89 48.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.788 -0.642 . . . . 75.22 109.793 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -129.95 140.15 50.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.967 -0.561 . . . . 74.52 109.529 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 11.7 ptp180 -113.68 133.92 55.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.303 -0.629 . . . . 63.11 109.303 177.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.9 t80 -130.38 164.86 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.714 -0.676 . . . . 75.04 110.023 -170.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -121.17 114.07 20.9 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.95 -0.389 . . . . 73.34 109.95 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.91 -173.02 37.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.898 -0.668 . . . . 73.33 112.245 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -82.78 168.9 16.73 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.447 0.299 . . . . 73.14 111.179 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 9.6 pt-20 -57.92 -25.04 60.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.466 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -56.81 -54.06 50.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.339 -0.615 . . . . 75.55 109.339 172.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.08 -46.28 90.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.456 -0.793 . . . . 73.13 110.122 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 6.2 m -56.43 -59.65 4.66 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.724 -0.671 . . . . 51.42 111.224 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -69.73 -36.81 76.19 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.682 -0.69 . . . . 64.31 111.506 -173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -67.9 -41.59 82.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.503 0.192 . . . . 73.25 110.669 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.23 -49.93 75.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 74.44 109.82 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.75 83.53 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.049 -0.523 . . . . 74.23 110.875 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.39 -54.74 43.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.822 -0.626 . . . . 65.34 111.216 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 46.7 mt-10 -63.3 -41.37 98.94 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.847 -0.615 . . . . 72.43 110.945 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 29' ' ' VAL . 4.5 tt -62.14 -48.59 79.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 62.25 109.893 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -65.29 -36.88 85.44 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.029 -0.532 . . . . 53.23 111.466 -176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 15.4 ptm180 -79.24 -26.51 42.45 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.026 -0.269 . . . . 70.53 110.619 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -74.34 -52.68 11.48 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 71.21 110.239 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -120.65 124.93 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 72.14 110.543 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.3 79.39 0.91 Allowed Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.101 -0.5 . . . . 64.31 112.868 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 1' ' ' CYS . 94.4 m -136.89 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.581 0.352 . . . . 73.42 110.273 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 2' ' ' LYS . 10.8 pm0 -113.27 100.33 8.48 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.927 0.87 . . . . 75.14 109.142 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 3' ' ' GLN . 41.0 t -113.85 139.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 72.12 110.567 -173.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 10.4 tp10 -113.77 135.62 53.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.677 -0.86 . . . . 74.41 108.677 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.93 120.01 62.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.843 0.354 . . . . 74.21 110.587 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 7.9 pt-20 -113.45 114.99 27.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.143 -0.688 . . . . 71.32 109.143 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 5.1 p -114.43 142.71 46.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.11 0.481 . . . . 65.24 111.685 -173.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -113.56 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.112 -0.949 . . . . 74.52 108.632 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.964 -1.017 . . . . 75.32 110.159 179.353 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.119 0.485 . . . . 53.03 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 40.0 ttmt -142.33 144.83 33.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 74.04 110.237 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -152.81 165.33 35.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 72.1 109.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -126.58 145.18 50.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.247 0.546 . . . . 55.15 110.72 173.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -135.92 153.06 51.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.594 -0.891 . . . . 73.21 108.594 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 17.0 ptt180 -113.4 128.09 56.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.48 0.657 . . . . 65.13 109.983 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.578 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 66.8 t80 -113.76 167.98 10.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.773 -1.103 . . . . 62.13 109.193 -172.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 14.0 ptt180 -133.67 125.11 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.627 -0.509 . . . . 72.42 109.627 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.63 -164.38 32.09 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.93 -0.577 . . . . 63.41 112.153 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -88.64 173.45 8.61 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.738 0.304 . . . . 74.3 111.57 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -47.61 -49.97 25.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.82 -0.627 . . . . 72.41 110.944 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.82 -64.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.272 -0.876 . . . . 61.52 110.972 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -51.08 -47.31 61.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 75.35 111.115 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.67 -59.49 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.345 -0.843 . . . . 74.12 111.828 -175.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -70.24 -36.26 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 74.43 111.257 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 43.7 tttm -58.01 -51.42 69.74 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.93 0.395 . . . . 61.54 109.967 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.99 -43.13 77.36 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.644 -0.707 . . . . 75.21 110.367 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -60.45 3.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.911 -0.586 . . . . 65.34 111.907 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 8.2 pt-20 -61.26 -45.39 94.73 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.834 0.35 . . . . 74.52 111.341 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.6 mt-10 -66.49 -44.25 83.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.288 -0.414 . . . . 61.44 110.671 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.3 tt -59.57 -45.81 90.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.312 -0.625 . . . . 63.3 109.312 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -55.48 -60.02 4.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.863 -0.608 . . . . 63.23 110.732 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 19' ' ' GLU . 7.0 ptp180 -66.23 -38.06 87.0 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.317 -0.402 . . . . 70.11 111.495 -175.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -43.16 86.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.755 0.312 . . . . 71.45 110.823 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.11 -21.86 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.026 0.441 . . . . 72.03 110.946 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.64 25.87 73.0 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.074 -0.811 . . . . 61.05 111.074 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.7 m -129.07 -171.79 2.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.094 -0.553 . . . . 64.31 110.062 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.8 tp10 -113.61 132.75 55.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.387 -0.597 . . . . 70.13 109.387 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -128.07 136.54 59.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.348 0.594 . . . . 74.02 110.6 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 41.8 tt0 -113.53 115.26 27.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.925 -1.139 . . . . 61.44 107.925 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' SG ' ' A' ' 33' ' ' CYS . 61.1 t -113.58 124.26 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.124 0.487 . . . . 63.43 110.935 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 35.4 mt-10 -113.63 118.09 33.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.799 -1.186 . . . . 65.13 107.799 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 7' ' ' TYR . 88.8 m -113.38 142.03 46.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 73.44 112.075 -168.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 31.4 mt-10 -131.05 -179.53 5.39 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.689 -1.142 . . . . 45.44 109.527 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.514 -0.755 . . . . 64.33 109.78 175.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.758 0.789 . . . . 52.14 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -93.57 107.87 19.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.001 -1.454 . . . . 72.13 110.219 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 16.1 mm100 -115.78 127.95 55.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.532 0.682 . . . . 64.33 110.569 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.3 123.63 10.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.904 -1.044 . . . . 65.31 108.671 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -129.34 168.42 16.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.096 0.474 . . . . 74.44 111.399 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 34' ' ' GLU . 16.0 ptm180 -117.61 138.82 51.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 74.31 109.823 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 92.9 t80 -145.63 148.4 33.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.943 -0.762 . . . . 75.35 108.943 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -113.64 132.38 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.983 -0.377 . . . . 72.33 109.983 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.86 -143.43 10.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.195 -0.526 . . . . 42.35 112.158 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -103.45 149.58 24.68 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.911 0.386 . . . . 42.11 111.525 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.28 -44.6 53.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.563 -0.744 . . . . 75.45 111.573 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 4.0 tm-20 -52.37 -51.53 58.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.041 -0.527 . . . . 75.42 110.61 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.6 -38.6 91.75 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.801 -0.636 . . . . 73.54 110.73 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.1 m -56.34 -54.46 45.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.473 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -62.75 -40.76 98.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.72 -0.673 . . . . 72.1 111.234 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 2.2 mptm? -59.19 -50.83 72.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.834 0.349 . . . . 75.53 110.268 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -59.58 -39.0 82.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.895 -0.593 . . . . 65.54 110.311 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -67.18 -38.87 86.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.634 -0.712 . . . . 71.13 110.992 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.95 -43.23 75.44 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.407 -0.36 . . . . 50.15 110.145 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -58.85 -42.71 89.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 73.42 109.977 174.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.82 -41.53 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 72.34 110.88 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -67.73 -42.68 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.614 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 4.1 ptm180 -76.14 -19.42 58.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.733 -0.469 . . . . 62.21 109.733 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -69.9 -62.26 1.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.732 -0.667 . . . . 75.41 110.232 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.8 m -124.58 125.69 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.704 -0.225 . . . . 72.13 110.553 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.43 65.71 2.02 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 116.433 -0.349 . . . . 55.3 112.991 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.8 m -112.46 -159.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.534 -0.543 . . . . 55.13 109.534 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -112.86 99.73 8.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.061 -1.459 . . . . 74.25 107.061 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.5 p -128.14 141.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.506 -0.77 . . . . 65.22 112.114 -166.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -148.78 168.45 22.92 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.323 -0.853 . . . . 71.13 110.933 170.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' A' ' 18' ' ' ALA . 7.1 p -137.17 146.1 28.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.484 -1.235 . . . . 73.22 108.732 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -112.58 158.81 19.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.128 -0.693 . . . . 72.14 109.128 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 8.9 m -113.43 131.0 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.208 0.528 . . . . 71.05 111.299 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 6' ' ' ARG . 39.6 mt-10 -115.97 166.02 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 73.44 109.064 173.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.607 -0.711 . . . . 74.41 109.207 176.059 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 5.9 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.024 0.44 . . . . 73.22 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.761 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 10.4 mtmp? -118.19 144.97 45.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.725 -0.472 . . . . 71.44 109.725 177.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -151.39 148.69 28.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.699 0.285 . . . . 74.14 110.521 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.4 ptt180 -113.95 150.26 34.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.804 0.335 . . . . 64.11 110.589 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.442 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.9 mmm180 -141.22 168.34 20.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.714 -0.676 . . . . 75.13 109.263 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -140.01 135.03 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 72.23 109.928 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -124.56 141.61 51.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.489 -0.778 . . . . 74.25 109.3 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -113.88 136.05 53.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 74.32 110.84 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.75 -82.46 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.493 -0.643 . . . . 32.04 111.493 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.3 m -156.36 151.18 26.03 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.94 -0.393 . . . . 52.54 109.94 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.742 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.9 pt-20 -52.65 -40.15 62.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 54.42 112.037 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.85 -50.17 74.51 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 71.11 110.074 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -58.07 -41.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 53.31 110.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -62.27 -45.21 94.32 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.973 -0.558 . . . . 41.3 110.455 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 35.5 mtp180 -61.39 -46.47 90.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.554 -0.748 . . . . 65.24 110.658 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -58.33 -46.07 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 71.43 110.267 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -57.1 -41.18 78.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.64 -0.709 . . . . 73.31 110.331 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.73 88.02 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.961 -0.563 . . . . 61.34 111.385 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 28.2 mm-40 -62.16 -51.73 66.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.072 -0.513 . . . . 75.24 110.099 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -54.43 -46.55 73.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.67 -0.696 . . . . 74.42 110.409 176.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -52.65 63.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.298 -0.41 . . . . 74.42 111.266 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -65.46 -41.57 93.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.985 -0.552 . . . . 71.22 112.01 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 3.1 ptp180 -75.69 -24.19 56.25 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.728 0.299 . . . . 72.43 110.963 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 12.1 tpt180 -72.92 -50.69 22.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.046 0.45 . . . . 65.31 110.073 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -119.31 122.56 42.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.651 -0.704 . . . . 72.02 110.527 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 80.96 0.08 OUTLIER Glycine 0 C--N 1.335 0.476 0 O-C-N 123.409 0.443 . . . . 64.24 112.456 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.0 m -153.66 -169.67 3.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.865 0.466 . . . . 70.02 109.858 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 8.2 tp10 -112.99 102.34 10.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.695 -0.854 . . . . 74.25 108.695 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -113.68 125.94 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.875 -0.602 . . . . 70.23 109.965 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 42.8 tt0 -113.62 131.35 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.879 -0.6 . . . . 32.34 109.383 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 5' ' ' ARG . 98.5 t -114.12 146.7 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.222 0.534 . . . . 55.22 110.443 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.25 145.01 41.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.567 -1.272 . . . . 71.52 107.567 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.742 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 17.0 t -113.67 140.22 48.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.234 0.54 . . . . 41.24 112.164 -168.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.83 175.13 9.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.134 -0.939 . . . . 74.01 108.735 175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.453 -0.784 . . . . 60.15 110.419 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.102 0.477 . . . . 65.43 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.627 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 59.4 mttp -131.41 137.79 48.81 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.586 -0.734 . . . . 73.41 110.218 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 53.2 mt-30 -146.3 135.21 22.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 35.13 110.473 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -121.48 136.05 54.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.902 -0.777 . . . . 73.0 108.902 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -136.7 146.99 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 71.42 111.616 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -113.76 118.1 33.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.338 -0.986 . . . . 74.31 108.338 172.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -113.39 129.22 56.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.708 -0.479 . . . . 64.42 109.708 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.598 ' HG3' ' HB2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -113.47 130.05 56.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.224 -0.444 . . . . 71.44 109.861 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.4 -80.55 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.947 -0.861 . . . . 71.5 110.947 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.518 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 39.5 m -159.17 164.71 34.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 110.012 -0.366 . . . . 74.44 110.012 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 16.9 mm-40 -53.13 -60.05 3.77 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.612 0.57 . . . . 75.11 111.511 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.37 -40.38 82.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.517 -0.31 . . . . 74.31 111.009 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 10.7 mm-40 -58.6 -49.25 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 74.14 110.068 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.06 -49.58 76.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.177 -0.92 . . . . 35.21 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 96.8 mtt180 -61.97 -46.75 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 70.41 110.562 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.79 -39.72 89.94 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.145 -0.48 . . . . 64.54 110.819 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.51 -48.11 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.909 0.385 . . . . 72.3 110.148 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -45.93 84.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.599 -0.728 . . . . 74.15 110.427 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 14.9 tp10 -59.46 -52.37 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 64.23 110.542 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -51.58 -54.02 32.0 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.133 -0.485 . . . . 61.35 110.766 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 29' ' ' VAL . 30.8 tp -62.59 -39.36 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 64.41 110.78 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -68.78 -44.89 72.7 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.079 -0.509 . . . . 53.42 111.092 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.77 -26.87 55.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.719 0.295 . . . . 73.12 111.078 -178.104 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 45.3 ttp180 -77.81 -47.38 19.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.05 0.452 . . . . 74.23 110.524 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -126.67 112.99 16.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 71.43 110.528 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 74.04 0.45 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.99 -0.55 . . . . 72.54 112.334 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.9 m -120.18 -164.26 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.596 0.358 . . . . 64.13 110.419 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 7.8 tp10 -113.29 103.17 11.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.657 -0.868 . . . . 61.12 108.657 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.643 HG21 HD23 ' A' ' 21' ' ' LEU . 7.3 p -118.41 145.33 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 72.54 111.851 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -133.13 119.3 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.433 -0.803 . . . . 62.42 109.102 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.06 143.96 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.956 -0.387 . . . . 60.13 109.956 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.58 148.18 36.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.117 -0.697 . . . . 72.1 109.117 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.6 m -113.5 119.12 36.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 65.13 110.414 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.598 ' HB2' ' HG3' ' A' ' 8' ' ' ARG . 41.5 mt-10 -130.84 179.82 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.729 -0.669 . . . . 62.32 110.195 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.756 -0.64 . . . . 43.21 109.553 177.557 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.94 0.4 . . . . 65.52 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -115.67 130.14 56.75 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.135 -0.691 . . . . 71.43 109.135 171.616 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -113.95 150.89 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 74.14 111.242 -171.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.475 ' HD2' ' HB3' ' A' ' 30' ' ' GLU . 12.3 mmm180 -127.48 113.52 16.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 70.21 109.161 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.3 mmt180 -128.89 159.87 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.37 0.605 . . . . 73.13 111.105 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -132.31 141.81 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.65 -0.87 . . . . 74.24 108.65 172.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 13' ' ' GLU . 13.9 t80 -131.68 127.12 36.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.428 -0.582 . . . . 74.34 109.428 -177.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -113.61 130.26 56.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 75.41 110.283 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.68 -61.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.172 -0.771 . . . . 64.33 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.8 p -175.88 171.77 2.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 110.206 -0.294 . . . . 42.13 110.206 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -56.65 -46.59 80.96 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.103 -0.498 . . . . 61.11 110.055 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.61 -59.39 4.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 64.44 110.061 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 7.8 mm-40 -57.06 -53.0 63.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.228 -0.896 . . . . 62.05 111.942 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.65 -48.88 68.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 72.45 111.751 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -66.5 -38.06 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 70.11 111.021 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -64.39 -45.51 87.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.743 0.306 . . . . 71.13 110.256 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -55.0 -46.98 75.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.947 -0.569 . . . . 74.34 110.377 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.46 81.23 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.035 -0.53 . . . . 62.1 111.364 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -57.64 11.93 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.452 0.644 . . . . 52.03 109.638 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.32 -40.47 77.98 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.335 -0.848 . . . . 65.45 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -57.8 -54.34 47.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.866 0.365 . . . . 73.13 110.428 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -60.29 -45.0 94.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 42.04 111.276 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -79.99 -40.36 28.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.108 0.411 . . . . 64.54 112.108 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -82.38 -46.3 13.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.899 0.38 . . . . 63.44 111.644 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.1 m -75.83 126.59 31.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.315 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -77.51 62.37 3.48 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.833 -0.507 . . . . 51.13 111.833 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 57.0 m -164.98 -169.07 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.478 0.711 . . . . 75.32 109.379 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 47.5 tt0 -113.28 141.54 46.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.486 -0.931 . . . . 72.34 108.486 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.716 HG11 ' HB3' ' A' ' 21' ' ' LEU . 10.1 p -146.12 148.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.923 0.392 . . . . 61.34 111.282 -173.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -131.67 138.83 48.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.65 -1.241 . . . . 72.54 107.65 175.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 61.8 t -135.27 145.69 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.76 0.314 . . . . 74.14 111.346 -171.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -113.22 148.63 35.1 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.98 -0.555 . . . . 72.51 110.093 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.0 m -114.08 123.59 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 61.12 111.231 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.47 168.65 16.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.448 -0.575 . . . . 75.35 109.448 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.909 -0.567 . . . . 64.22 110.362 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 121.233 0.54 . . . . 75.54 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 93.0 mttt -114.52 133.53 55.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.032 -0.729 . . . . 74.41 109.032 174.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -133.81 146.82 51.01 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.95 0.405 . . . . 73.34 111.574 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 30' ' ' GLU . 21.1 mmt180 -117.75 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.614 -0.721 . . . . 70.03 109.644 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.539 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -118.87 164.8 14.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.558 -0.292 . . . . 50.12 110.567 -179.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -113.68 133.3 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.184 0.516 . . . . 72.12 110.453 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 29.7 t80 -131.88 130.14 41.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.966 -1.124 . . . . 72.33 107.966 175.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 29.3 ptt180 -113.55 134.96 54.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 73.14 110.198 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.15 -131.21 5.6 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 115.894 -0.593 . . . . 23.21 112.088 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 16.3 m -84.67 131.81 34.54 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.787 0.327 . . . . 51.34 110.965 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.937 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.7 pt-20 -64.2 -28.61 69.87 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.427 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.32 -48.43 78.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 109.527 -0.545 . . . . 64.24 109.527 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.542 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mm-40 -64.95 -40.85 95.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.342 -0.845 . . . . 72.12 110.434 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 7' ' ' TYR . 64.0 m -57.05 -43.78 82.36 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.828 -0.624 . . . . 60.23 110.717 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -67.49 -46.52 72.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.274 -0.421 . . . . 73.31 110.647 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 54.5 mtpt -53.06 -52.0 59.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.985 -0.552 . . . . 71.23 110.618 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.42 -49.51 76.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.095 -0.957 . . . . 65.01 111.317 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -54.14 -51.11 65.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.092 0.472 . . . . 75.44 111.145 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -64.02 -50.27 69.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.772 -0.649 . . . . 73.23 111.242 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 12.2 pt-20 -61.26 -49.35 77.44 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.735 0.302 . . . . 74.43 110.559 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 45.0 tp -60.69 -37.42 81.56 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.045 -0.525 . . . . 63.34 110.217 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -58.38 -57.78 11.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.813 -0.63 . . . . 74.1 110.381 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.9 ppt_? -73.84 -19.24 60.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.807 0.336 . . . . 71.54 111.325 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -70.89 -52.65 18.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.212 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -75.35 -42.09 55.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 70.42 111.271 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.09 -15.9 59.95 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 111.375 -0.69 . . . . 74.53 111.375 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.1 m -83.84 -164.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.65 0.38 . . . . 34.45 110.012 176.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 13.4 tp10 -113.67 127.24 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.545 -0.539 . . . . 52.24 109.545 175.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 21' ' ' LEU . 6.8 p -151.16 124.09 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.822 -0.626 . . . . 62.04 109.972 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -125.9 147.71 49.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.606 -0.887 . . . . 74.45 108.606 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.539 HG12 ' HB2' ' A' ' 5' ' ' ARG . 7.0 m -113.89 165.43 8.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.239 0.542 . . . . 70.34 109.842 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.49 143.0 45.25 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.114 -1.069 . . . . 65.12 108.114 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.937 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 5.5 t -113.31 110.42 20.33 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.352 -0.61 . . . . 60.31 109.352 -173.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 26.6 mt-10 -137.82 -178.93 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.549 -0.751 . . . . 70.24 110.378 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.33 -0.843 . . . . 72.52 109.477 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.22 0.533 . . . . 75.42 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 95.6 mttt -125.1 123.98 40.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.533 -0.758 . . . . 72.3 109.687 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -114.59 163.95 14.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 72.32 110.169 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 6.1 ptp180 -137.48 133.71 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.02 -0.733 . . . . 72.01 109.02 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.602 ' HD3' HD11 ' A' ' 21' ' ' LEU . 67.2 mtp85 -147.66 177.11 9.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.69 0.281 . . . . 73.01 111.007 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' H ' ' HD2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -131.75 152.8 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 64.14 110.722 -177.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.474 ' HE1' ' HB3' ' A' ' 13' ' ' GLU . 24.1 t80 -153.55 171.71 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.487 -0.931 . . . . 72.24 108.487 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -141.13 135.7 31.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.426 -0.213 . . . . 73.3 110.426 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.78 -152.82 24.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.049 -0.595 . . . . 75.02 112.669 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -101.62 179.33 4.37 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.068 0.461 . . . . 64.41 111.416 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.47 -43.15 75.24 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.368 -0.833 . . . . 73.33 111.774 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.07 -48.68 77.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.193 0.52 . . . . 64.13 110.105 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 36.7 mt-10 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.636 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.92 -52.12 66.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.063 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -60.36 -58.6 7.82 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.06 -0.518 . . . . 65.44 110.722 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -48.17 -53.12 17.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.415 -0.811 . . . . 75.41 111.289 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 84.4 t80 -57.2 -53.68 55.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 74.01 111.11 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.16 80.84 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.032 -0.531 . . . . 74.31 111.904 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.32 -48.98 75.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 45.43 110.648 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.91 -41.15 91.08 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.86 0.362 . . . . 74.44 110.391 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD11 ' HD3' ' A' ' 5' ' ' ARG . 3.8 tt -57.74 -50.77 72.11 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.821 -0.627 . . . . 74.02 109.975 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' OG ' HG12 ' A' ' 29' ' ' VAL . 19.2 m -60.83 -56.56 19.77 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.957 -0.565 . . . . 44.13 111.307 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.99 -25.44 67.09 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.992 -0.549 . . . . 73.13 111.695 -174.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -80.17 -58.55 3.09 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 71.14 110.776 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -66.04 -21.05 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 73.23 111.44 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.06 47.25 24.95 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.749 -0.94 . . . . 71.11 110.749 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -150.87 -175.44 5.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.056 -0.572 . . . . 61.43 110.551 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.7 tp10 -113.49 140.73 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.852 -1.166 . . . . 74.55 107.852 171.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OG ' ' A' ' 22' ' ' SER . 11.7 p -141.92 142.33 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.266 0.555 . . . . 74.25 111.49 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.7 mt-10 -113.79 120.83 42.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.803 -0.814 . . . . 65.11 108.803 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.84 144.87 23.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.664 -0.698 . . . . 65.25 109.537 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -112.93 142.22 45.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.164 -0.68 . . . . 71.34 109.164 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.0 m -113.49 135.39 53.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.311 0.577 . . . . 73.01 111.357 -172.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -119.89 174.17 6.61 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.867 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.565 -0.731 . . . . 73.41 109.577 -178.14 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.493 0.663 . . . . 45.33 110.273 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.3 tmmm? -120.21 110.65 16.85 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.11 -1.07 . . . . 74.2 108.11 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 24.1 tt0 -128.95 161.28 30.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.363 -0.38 . . . . 71.55 110.424 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.6 ttp180 -135.73 144.76 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.671 0.272 . . . . 64.44 110.482 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -136.54 174.3 10.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.097 -0.501 . . . . 64.43 110.339 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -129.51 125.62 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.03 -0.359 . . . . 71.52 110.03 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -113.82 158.55 20.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.619 -0.882 . . . . 73.4 108.619 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -113.62 124.71 52.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 73.43 110.251 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 -141.01 7.98 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 116.008 -0.542 . . . . 62.44 111.953 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -108.35 169.56 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.218 -0.29 . . . . 63.14 110.218 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -36.35 83.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.452 -0.34 . . . . 71.44 111.143 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.93 -51.55 65.74 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.478 0.656 . . . . 74.45 110.13 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.51 -39.12 92.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.27 -0.877 . . . . 62.21 110.414 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.76 -46.52 88.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.501 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.57 -54.31 34.07 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.0 -0.545 . . . . 75.51 110.959 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -56.57 -46.12 80.94 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.718 0.294 . . . . 51.25 110.619 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -57.21 -48.58 78.44 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.846 -0.615 . . . . 73.41 110.788 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.79 89.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.392 -0.367 . . . . 64.52 111.256 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.25 -51.8 61.83 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.246 0.546 . . . . 71.24 109.62 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 47.8 mt-10 -62.99 -40.38 97.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 73.23 110.613 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.65 -44.29 97.25 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.774 -0.648 . . . . 63.33 110.202 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -63.68 -51.67 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 65.34 110.716 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.6 ptp180 -66.78 -30.63 70.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.651 0.262 . . . . 72.34 110.86 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.25 -49.46 64.32 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.853 0.358 . . . . 72.33 110.093 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.4 p -74.19 -29.15 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 61.54 110.697 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.38 79.44 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-N 115.962 -0.563 . . . . 60.11 111.887 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 73.0 m -127.48 -159.11 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.617 0.367 . . . . 72.33 110.018 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 36.4 tt0 -113.69 113.82 25.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.083 0.468 . . . . 73.2 110.22 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 43.4 t -127.08 137.36 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 65.35 110.522 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 46.7 tt0 -113.73 152.56 30.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.871 -0.789 . . . . 73.24 108.871 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.76 148.06 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 72.03 110.359 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.89 163.61 14.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.79 -0.818 . . . . 62.31 108.79 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.38 125.77 54.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.166 0.508 . . . . 73.34 110.953 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.97 164.44 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 74.13 109.332 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.937 -0.554 . . . . 63.22 110.47 178.044 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 25.7 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.047 0.451 . . . . 52.32 110.455 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -112.74 128.44 56.42 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.426 -0.583 . . . . 71.34 109.426 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -122.98 130.41 52.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.171 0.51 . . . . 73.0 110.034 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -115.84 117.89 31.46 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.318 -0.993 . . . . 72.25 108.318 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HB2' HG22 ' A' ' 31' ' ' VAL . 35.1 mmt180 -113.39 138.29 50.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 72.41 111.193 -170.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -113.75 103.27 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.384 -0.969 . . . . 65.21 108.384 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 69.7 t80 -113.59 148.46 36.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.165 -173.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -117.82 112.26 20.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 73.34 109.974 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.3 179.39 43.13 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.686 -0.688 . . . . 22.54 111.389 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -83.39 171.04 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.582 0.23 . . . . 73.44 110.991 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -46.82 -41.66 15.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.778 -0.646 . . . . 74.02 112.019 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.95 -52.4 56.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.641 -0.254 . . . . 63.3 110.569 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.6 -42.14 70.76 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.956 0.408 . . . . 72.12 110.345 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.9 m -56.74 -54.16 49.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.666 -0.697 . . . . 73.42 110.768 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -60.6 -44.68 95.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.448 -0.342 . . . . 75.42 111.294 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.94 -59.53 4.97 Favored 'General case' 0 N--CA 1.422 -1.833 0 C-N-CA 123.695 0.798 . . . . 72.04 110.918 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.06 -47.6 85.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.403 -0.817 . . . . 72.35 110.925 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.7 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.975 -0.557 . . . . 63.31 111.421 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.87 -46.15 69.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.494 -0.321 . . . . 65.0 110.705 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.04 -47.56 74.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.942 0.401 . . . . 74.43 110.753 176.408 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.91 -50.21 71.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.026 -0.534 . . . . 72.31 110.24 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -64.92 -34.19 77.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.939 -0.573 . . . . 74.33 111.306 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 6.5 ptm180 -82.07 -25.09 34.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.072 0.463 . . . . 74.33 109.922 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.48 -48.57 66.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.77 -0.65 . . . . 74.42 110.502 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -111.76 117.73 33.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 70.11 111.217 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.89 77.85 0.15 Allowed Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.129 -0.487 . . . . 13.34 111.977 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 1.7 m -151.23 -165.54 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.886 0.474 . . . . 45.04 110.201 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -113.35 110.86 21.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.212 -0.662 . . . . 72.23 109.212 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.21 126.7 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.026 -0.534 . . . . 63.4 110.902 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -114.45 122.81 47.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.071 -0.714 . . . . 75.23 109.071 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 5' ' ' ARG . 57.2 t -116.69 133.91 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.779 0.323 . . . . 75.5 111.011 -176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.2 156.91 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.024 -0.732 . . . . 63.21 109.024 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 62.7 m -126.17 138.24 53.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.101 0.477 . . . . 74.45 112.031 -172.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -133.37 -179.81 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.669 -0.864 . . . . 74.14 108.669 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.73 -0.652 . . . . 74.23 110.629 -178.586 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 2.2 p . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.407 0.622 . . . . 54.52 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 67.9 mttm -122.97 95.16 4.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.17 -0.923 . . . . 72.23 108.554 174.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -114.06 174.26 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.703 -0.48 . . . . 62.03 109.703 -171.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.573 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 6.2 ptp85 -150.12 152.72 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.106 0.479 . . . . 75.51 112.008 -177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -132.04 161.48 33.11 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.362 -0.836 . . . . 74.42 110.073 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 6' ' ' ARG . 45.9 mtm180 -113.54 112.76 24.11 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.203 -0.665 . . . . 70.3 109.203 173.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -113.55 145.12 41.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.387 -0.824 . . . . 71.35 110.266 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -114.07 131.15 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.172 -0.306 . . . . 71.22 110.172 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.53 -158.74 30.57 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 111.624 -0.59 . . . . 72.12 111.624 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -79.62 152.58 29.95 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.251 -0.277 . . . . 65.33 110.251 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.7 mt-10 -48.43 -50.43 31.14 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.85 0.46 . . . . 74.12 110.841 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.35 -44.56 92.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.711 -0.677 . . . . 62.25 110.815 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -61.19 -37.34 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.639 . . . . 74.43 110.452 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.4 m -65.6 -42.21 91.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 74.13 110.167 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 24.6 mmm180 -67.74 -35.91 79.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.812 -0.631 . . . . 74.14 110.348 179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 3.5 tppp? -71.94 -40.34 68.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.787 -0.642 . . . . 71.23 109.602 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -59.23 -44.49 92.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.444 -0.798 . . . . 72.14 109.534 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -54.12 46.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.282 -0.872 . . . . 65.51 111.662 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 16' ' ' LYS . 14.0 pt-20 -62.84 -44.2 96.76 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.486 -0.325 . . . . 54.22 110.738 -176.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -58.1 -52.24 66.35 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.502 -0.317 . . . . 75.22 110.643 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD13 HG11 ' A' ' 29' ' ' VAL . 4.1 mt -57.91 -44.0 86.56 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.229 -0.441 . . . . 73.12 111.206 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 t -69.27 -35.66 76.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.913 -0.585 . . . . 74.13 111.459 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 23' ' ' ARG . 5.3 ptp180 -82.17 -31.11 30.62 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.776 0.322 . . . . 63.01 110.697 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -68.67 -47.57 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.205 0.526 . . . . 72.01 110.134 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.4 m -95.2 133.87 38.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.481 -0.781 . . . . 73.42 109.873 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.04 56.74 3.15 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.162 -0.542 . . . . 32.5 111.839 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 93.6 m -154.0 -169.73 3.35 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.175 -0.676 . . . . 55.01 109.175 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 36.8 tt0 -113.77 126.75 55.57 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.565 -0.531 . . . . 62.53 109.565 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.632 HG11 HD13 ' A' ' 21' ' ' LEU . 60.6 t -125.85 137.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.989 -0.55 . . . . 72.22 109.832 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 33.2 tt0 -113.75 143.8 44.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.812 -0.81 . . . . 74.04 108.812 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -123.61 146.3 29.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.26 0.552 . . . . 74.53 110.501 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -112.8 139.88 48.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.6 -1.259 . . . . 73.05 107.6 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -113.5 113.94 25.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.986 0.422 . . . . 35.11 110.864 -170.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -114.03 156.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.734 . . . . 63.31 109.167 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.601 -0.714 . . . . 70.41 109.962 -179.044 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.05 0.452 . . . . 72.45 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 65.6 mttp -108.07 133.36 52.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.26 177.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -137.53 163.81 30.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.258 -0.428 . . . . 74.43 109.976 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 30' ' ' GLU . 55.1 mtp85 -146.22 133.44 20.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.846 0.355 . . . . 71.44 110.588 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -114.91 -179.96 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 60.11 109.575 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -131.79 153.07 50.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.868 0.366 . . . . 74.12 110.731 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -148.23 140.2 23.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.634 -0.712 . . . . 64.34 109.385 -175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -113.84 133.34 55.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.895 0.379 . . . . 75.43 110.758 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.78 -137.44 5.08 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.324 -0.71 . . . . 63.32 111.324 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.9 m -96.31 152.04 18.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.164 -0.31 . . . . 44.34 110.164 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -49.81 -44.92 49.5 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.417 -0.356 . . . . 71.05 111.165 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -54.74 -50.85 67.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.057 -0.52 . . . . 71.1 110.189 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.11 -43.72 91.94 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.642 -0.708 . . . . 73.33 110.461 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -59.24 -48.25 82.31 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.871 -0.604 . . . . 75.33 110.87 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -67.62 -42.34 82.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 74.31 111.611 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -67.49 -38.86 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.944 -0.302 . . . . 72.31 110.836 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -63.7 -42.88 97.92 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.315 -0.624 . . . . 65.01 109.315 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB2' ' HB ' ' A' ' 31' ' ' VAL . . . -59.51 -46.55 88.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.773 -0.648 . . . . 74.33 110.956 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.85 -51.61 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.757 -0.656 . . . . 74.22 110.772 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -58.8 -44.38 90.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 70.22 110.83 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.2 tp -64.85 -38.31 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.308 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.3 t -64.04 -45.94 86.64 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.767 -0.651 . . . . 75.35 110.886 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -77.09 -25.65 52.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.253 -0.431 . . . . 71.43 111.049 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -75.91 -48.53 20.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.213 -0.449 . . . . 72.52 111.39 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.5 m -77.64 136.6 38.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 62.2 111.451 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -79.28 60.83 4.23 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 111.829 -0.508 . . . . 72.44 111.829 176.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 18.0 m -169.16 -164.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 123.308 0.643 . . . . 64.54 109.734 -177.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 14.5 tp10 -113.6 99.89 8.08 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.351 -0.981 . . . . 73.11 108.351 173.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.04 138.66 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.934 -0.576 . . . . 75.02 110.592 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.794 ' HB2' ' HG2' ' A' ' 4' ' ' ARG . 38.6 mt-10 -118.17 -179.71 3.85 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.812 0.815 . . . . 74.21 110.798 177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 93.4 t -139.7 154.28 24.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 CA-C-N 114.035 -1.439 . . . . 71.12 109.858 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -113.13 149.63 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.131 -1.063 . . . . 65.44 108.131 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.6 t -113.48 126.59 55.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.967 0.413 . . . . 74.01 110.684 -174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -129.31 -179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.929 -0.767 . . . . 54.25 108.929 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 110.116 -0.328 . . . . 72.54 110.116 177.375 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.19 -0.3 . . . . 72.41 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.9 tppt? -122.35 137.05 54.99 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.657 0.383 . . . . 63.03 109.997 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -123.58 123.65 41.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.911 -0.774 . . . . 74.11 108.911 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.611 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 75.6 mtp180 -113.96 127.94 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.796 0.331 . . . . 74.31 110.494 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -132.26 153.64 50.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.089 -0.505 . . . . 74.3 110.464 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -113.71 125.98 54.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.765 -0.828 . . . . 54.2 108.765 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 51.6 t80 -131.04 154.56 48.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.782 -0.644 . . . . 75.54 109.714 -168.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 5.5 ptm180 -113.82 129.39 56.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.599 -0.519 . . . . 63.23 109.599 174.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.06 167.95 28.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.582 -0.818 . . . . 70.42 112.937 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 12.8 m -62.22 158.94 15.88 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.464 0.306 . . . . 72.42 110.403 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 39.1 mt-10 -49.04 -46.66 44.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.962 0.411 . . . . 73.33 110.471 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 46.6 mt-10 -57.58 -49.76 75.34 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.631 -0.713 . . . . 74.34 111.013 177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 33.0 mm-40 -56.86 -39.98 75.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.13 0.491 . . . . 73.31 110.126 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.4 t -63.81 -41.7 97.84 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.4 -0.818 . . . . 74.42 110.237 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 23.9 mmt180 -60.82 -53.43 57.39 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.238 0.542 . . . . 71.45 110.231 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 27.9 mtpp -57.97 -48.01 81.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.998 -1.001 . . . . 74.23 110.772 -177.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -62.42 -45.57 92.49 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.921 -0.581 . . . . 73.14 110.473 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 -51.2 71.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 64.42 110.949 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.32 -51.71 66.56 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.463 -0.335 . . . . 70.44 110.489 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 1.0 OUTLIER -50.67 -49.74 56.49 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.047 -0.524 . . . . 72.33 111.176 -178.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.1 tp -71.12 -37.62 72.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.228 -0.442 . . . . 64.0 110.709 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -66.58 -37.71 85.5 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.44 -0.346 . . . . 70.13 110.704 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -81.99 -33.51 30.1 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.652 0.263 . . . . 74.42 110.575 178.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -64.33 -48.5 75.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.079 -0.51 . . . . 72.02 110.826 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.8 p -105.38 131.84 52.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.824 -0.625 . . . . 60.24 110.529 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.65 72.63 0.82 Allowed Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.985 -0.446 . . . . 23.51 111.985 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.8 m -155.64 -166.1 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.831 0.452 . . . . 70.34 109.892 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 10.8 tp10 -113.6 126.16 54.97 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 107.818 -1.179 . . . . 75.13 107.818 174.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -113.95 141.39 30.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.274 0.559 . . . . 75.44 110.9 -173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.611 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 23.5 tt0 -134.57 115.6 14.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.117 -0.947 . . . . 74.5 108.919 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 33' ' ' CYS . 60.6 t -113.68 132.48 62.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 60.2 110.31 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.66 114.82 26.94 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.612 -1.255 . . . . 64.33 107.612 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 31' ' ' VAL . 72.1 m -113.24 134.99 54.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 62.23 112.037 -165.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 30.6 mt-10 -131.7 -179.5 5.42 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.132 -0.94 . . . . 65.24 109.499 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.606 -0.712 . . . . 73.53 109.418 171.084 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.47 0.652 . . . . 73.21 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 62.9 tttp -129.01 130.3 46.46 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.104 -0.953 . . . . 63.41 109.497 176.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -138.33 147.85 43.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.315 -0.624 . . . . 73.25 109.315 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 9.6 ptm180 -113.82 141.56 47.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 63.02 110.12 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HB2' HG22 ' A' ' 31' ' ' VAL . 1.3 mmp_? -132.85 164.81 26.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 73.52 109.576 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -131.91 119.11 20.7 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.192 -0.67 . . . . 74.33 109.192 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.7 t80 -117.87 152.53 35.2 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.307 -0.627 . . . . 74.44 109.307 -175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -130.27 144.58 51.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.228 -0.286 . . . . 64.34 110.228 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.54 -64.67 0.36 Allowed Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.064 -0.815 . . . . 64.03 111.064 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.7 p -169.46 143.76 2.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.204 -0.665 . . . . 75.41 109.204 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 35.2 mt-10 -50.01 -36.13 27.37 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 120.733 0.302 . . . . 75.42 111.309 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 43.1 tt0 -64.24 -60.33 3.33 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.179 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.2 -26.7 68.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.86 0.362 . . . . 73.45 110.353 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.2 m -66.39 -53.22 38.39 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.037 -0.529 . . . . 72.34 110.897 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.99 -35.05 79.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.693 -0.403 . . . . 74.14 110.402 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 14.1 mmmm -58.23 -55.26 37.33 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.429 -0.582 . . . . 65.4 109.429 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.509 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 72.7 t80 -49.26 -47.93 46.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.626 -0.715 . . . . 61.33 110.151 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.63 -63.36 1.33 Allowed 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.661 -0.699 . . . . 72.33 112.085 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.93 -35.58 81.63 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.774 0.321 . . . . 73.1 111.194 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.715 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 48.6 mt-10 -70.85 -33.8 71.01 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.75 0.31 . . . . 63.24 110.399 179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG11 ' A' ' 29' ' ' VAL . 4.6 tt -64.23 -41.91 96.79 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.829 -0.804 . . . . 65.11 108.829 174.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 t -70.51 -33.28 71.03 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.708 -0.678 . . . . 64.12 111.627 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.715 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.4 ptm180 -76.62 -31.92 57.72 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.923 -0.399 . . . . 72.44 109.923 177.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -67.93 -71.61 0.2 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.241 0.543 . . . . 75.23 110.283 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 m -91.63 137.23 32.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.63 -0.714 . . . . 71.55 110.15 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.11 73.86 0.38 Allowed Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.212 -0.518 . . . . 75.11 112.476 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -152.29 173.65 14.76 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.988 0.423 . . . . 65.23 110.566 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 35.3 tt0 -113.86 115.16 27.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.822 -0.807 . . . . 72.01 108.822 174.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 21' ' ' LEU . 7.5 p -113.69 128.53 70.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 75.02 109.903 -178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 39.7 tt0 -113.62 112.68 23.91 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.739 -0.838 . . . . 74.04 108.739 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 5' ' ' ARG . 59.8 t -113.77 143.13 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.015 0.436 . . . . 61.31 110.86 -172.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -113.1 139.43 48.72 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.095 -1.076 . . . . 64.42 108.095 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 38.3 t -113.77 137.18 52.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.115 0.483 . . . . 62.32 112.017 -169.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -127.2 -179.87 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.192 -0.913 . . . . 73.33 108.612 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.803 -0.618 . . . . 74.24 110.025 176.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 49.2 t . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.851 0.358 . . . . 60.21 111.174 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -112.83 118.13 34.08 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.423 -0.584 . . . . 73.05 109.423 172.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -113.37 127.64 56.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 72.02 110.186 -178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -115.72 107.13 14.69 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.529 -1.286 . . . . 71.23 107.529 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.81 154.05 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.231 0.538 . . . . 65.54 111.812 -166.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -119.15 110.66 17.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.006 -0.997 . . . . 55.12 109.046 175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -119.58 142.91 47.95 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.464 -0.939 . . . . 73.05 108.464 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -122.7 141.13 52.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 75.51 111.247 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.08 -89.08 0.14 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.132 -0.787 . . . . 63.23 111.132 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 m -152.95 149.45 28.24 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.401 -0.592 . . . . 70.03 109.401 176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.95 -29.94 44.71 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.277 0.361 . . . . 71.21 110.566 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -55.71 -61.64 2.23 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.008 -0.542 . . . . 71.22 110.0 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.27 -44.36 75.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.682 -0.69 . . . . 73.04 110.937 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.2 m -66.03 -43.26 88.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.623 -0.717 . . . . 45.4 111.472 -175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -75.06 -27.16 59.88 Favored 'General case' 0 N--CA 1.463 0.225 0 O-C-N 122.491 -0.13 . . . . 62.24 110.951 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -65.76 -46.9 77.07 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.713 -0.477 . . . . 72.34 109.713 172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -57.68 -48.19 80.23 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.581 -0.736 . . . . 70.31 109.977 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.97 91.36 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.747 -0.66 . . . . 44.55 111.258 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -55.88 -60.89 2.83 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.953 -0.567 . . . . 73.23 110.668 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.92 -43.62 81.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 60.54 111.175 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -62.67 -50.25 71.9 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.97 0.414 . . . . 72.42 110.417 -177.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -64.85 -38.31 90.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.951 -0.568 . . . . 61.42 111.308 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -82.14 -21.75 36.47 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.053 -0.259 . . . . 71.2 110.922 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -73.11 -53.05 12.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.99 0.424 . . . . 62.02 110.329 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.8 p -117.61 135.76 53.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 71.15 110.597 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.35 68.82 0.9 Allowed Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.298 -0.477 . . . . 64.24 112.068 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 5.9 t -136.6 177.85 7.53 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.467 -0.568 . . . . 63.43 109.467 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -113.88 118.47 34.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 72.02 110.111 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 21' ' ' LEU . 5.8 p -135.29 126.8 46.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 52.42 110.882 -178.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -113.91 132.93 55.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.797 -0.816 . . . . 71.41 108.797 172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.4 137.07 55.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.213 -0.449 . . . . 43.22 110.137 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -113.05 140.71 47.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.842 -0.799 . . . . 73.45 108.842 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.2 t -113.73 123.46 49.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.922 -167.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -113.73 160.04 19.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.011 -0.54 . . . . 53.33 109.669 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.483 -0.77 . . . . 61.14 109.955 179.036 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.566 0.222 . . . . 61.21 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -129.47 86.73 2.45 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.189 -1.041 . . . . 74.45 108.189 168.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 7.4 tt0 -141.29 153.34 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.497 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 86.5 mtt180 -126.03 164.79 20.07 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.019 0.437 . . . . 72.1 111.645 -176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -138.66 157.85 45.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.416 -0.811 . . . . 75.11 109.818 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -116.39 117.75 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.594 -0.521 . . . . 70.11 109.594 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.546 ' HD1' ' SG ' ' A' ' 14' ' ' CYS . 73.6 t80 -113.89 145.03 42.06 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.531 . . . . 74.03 109.565 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -120.19 129.28 54.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.087 0.47 . . . . 72.43 110.419 -179.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.27 -118.86 0.88 Allowed Glycine 0 N--CA 1.452 -0.247 0 N-CA-C 111.547 -0.621 . . . . 23.43 111.547 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -111.54 146.34 37.48 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.755 0.312 . . . . 63.41 110.901 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.53 -35.65 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.708 -0.678 . . . . 75.31 110.404 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.06 -56.65 16.03 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 115.934 -0.576 . . . . 75.13 110.615 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.43 -47.1 86.74 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.442 -0.799 . . . . 75.42 110.087 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' SG ' ' HD1' ' A' ' 7' ' ' TYR . 58.7 m -59.02 -50.21 74.95 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.542 -0.754 . . . . 54.44 111.419 -177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -64.38 -54.58 30.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.484 -0.325 . . . . 73.51 110.973 -177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.16 -41.67 88.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.397 -0.365 . . . . 72.4 111.271 -177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.41 -43.87 96.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 74.35 110.203 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -54.32 48.28 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.664 -0.698 . . . . 75.14 111.127 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 7.6 pt-20 -64.76 -44.09 91.21 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.558 -0.292 . . . . 75.3 111.292 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 2.5 mt-10 -56.97 -53.29 59.71 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.088 0.47 . . . . 64.43 110.369 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.35 -39.24 92.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.783 -0.644 . . . . 74.31 110.597 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -70.24 -34.49 72.92 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.059 -0.519 . . . . 65.44 111.299 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -82.43 -25.32 33.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.923 0.392 . . . . 65.51 110.455 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -70.37 -53.43 16.65 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.875 -0.602 . . . . 71.44 109.805 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.1 m -93.62 121.69 35.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.447 -0.797 . . . . 74.23 109.86 177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.21 65.87 1.25 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 121.249 -0.5 . . . . 73.52 112.813 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -157.55 -167.88 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.319 -0.623 . . . . 74.11 109.319 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -113.34 99.82 8.08 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-O 121.808 0.813 . . . . 74.35 110.669 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.7 p -120.99 123.29 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.016 -0.993 . . . . 75.33 109.295 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 35.5 tt0 -114.14 148.34 37.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.957 -0.565 . . . . 63.43 110.052 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.28 141.73 43.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.428 -0.582 . . . . 74.42 109.428 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.38 147.41 37.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.66 -0.867 . . . . 70.21 108.66 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -113.66 126.36 55.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 65.41 111.753 -168.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -114.21 162.91 15.94 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.535 -0.757 . . . . 63.43 109.52 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.574 -0.726 . . . . 73.1 110.399 176.601 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.175 0.512 . . . . 44.15 110.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -121.07 121.29 37.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.451 -0.795 . . . . 75.44 109.672 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 95.3 mt-30 -126.21 147.91 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.619 -0.511 . . . . 72.15 109.619 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.9 ptm180 -133.73 130.68 38.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.153 -0.684 . . . . 73.44 109.153 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -129.04 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.358 0.599 . . . . 72.44 111.695 -170.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.54 ' H ' ' HD3' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -134.52 122.73 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.269 -0.878 . . . . 61.44 109.242 -177.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 67.5 t80 -136.56 144.51 44.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.341 -0.615 . . . . 73.42 109.341 -173.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.54 ' O ' ' HD2' ' A' ' 8' ' ' ARG . 6.8 ppt_? -114.07 124.33 51.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.418 0.628 . . . . 74.23 110.91 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.99 -178.78 39.26 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 110.647 -0.981 . . . . 52.34 110.647 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -65.77 148.24 52.09 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.164 0.507 . . . . 60.14 111.192 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HD3' ' A' ' 15' ' ' ARG . 48.3 mt-10 -55.6 -49.76 71.94 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 115.474 -0.785 . . . . 71.54 111.503 -175.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.17 -58.79 6.24 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.048 0.218 . . . . 75.04 111.3 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -59.27 -36.9 76.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.575 0.226 . . . . 53.23 110.598 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 17' ' ' TYR . 46.2 t -65.01 -42.32 94.57 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.963 0.411 . . . . 62.53 111.034 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.66 ' NH1' ' SG ' ' A' ' 33' ' ' CYS . 10.2 mpt_? -64.69 -47.72 77.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.355 . . . . 74.44 110.644 176.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.78 -27.92 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.309 177.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 14' ' ' CYS . 80.3 t80 -63.62 -51.02 67.06 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.396 -0.594 . . . . 75.13 109.396 173.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -58.29 -42.6 86.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.204 -0.453 . . . . 71.2 110.942 176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -57.86 -61.22 2.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.641 -0.709 . . . . 62.43 110.461 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -57.83 -40.98 81.31 Favored 'General case' 0 N--CA 1.411 -2.406 0 C-N-CA 123.717 0.807 . . . . 75.42 111.13 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.12 -51.48 67.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.628 -0.714 . . . . 63.25 111.026 -178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.7 t -69.89 -33.94 72.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.121 -0.49 . . . . 62.12 111.406 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -79.52 -31.59 42.16 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 121.061 -0.256 . . . . 74.34 110.702 -178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -77.2 -55.62 5.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.865 0.364 . . . . 75.42 110.313 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -91.84 130.62 37.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 64.31 109.869 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 74.13 0.12 Allowed Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.321 -0.466 . . . . 64.34 112.638 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -155.33 171.26 20.16 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.815 -0.439 . . . . 52.13 109.815 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.61 126.21 55.02 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.402 -0.962 . . . . 65.44 108.402 173.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 9.6 p -126.93 135.08 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 74.4 111.767 -174.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 36.8 tt0 -113.72 108.54 17.26 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.299 -1.0 . . . . 72.2 108.299 171.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG12 ' HB2' ' A' ' 18' ' ' ALA . 9.0 p -113.55 136.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.229 -0.656 . . . . 75.21 109.229 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -112.8 136.11 52.8 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.681 -0.859 . . . . 73.1 108.681 -173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' NH1' ' A' ' 15' ' ' ARG . 3.2 m -113.68 121.29 43.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.908 -0.587 . . . . 71.21 111.544 -164.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -113.82 173.57 6.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.551 -0.749 . . . . 71.23 109.403 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.011 -0.518 . . . . 74.1 110.722 -179.286 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 120.593 0.235 . . . . 74.2 110.553 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 97.2 mttt -123.24 146.54 47.76 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.107 -0.331 . . . . 51.25 110.107 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 36.2 tt0 -159.92 150.83 19.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.146 0.498 . . . . 64.22 110.908 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -122.79 127.53 49.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.334 -0.617 . . . . 72.22 109.334 172.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -113.89 174.89 5.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.967 -0.753 . . . . 73.42 108.967 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -143.82 130.78 20.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.346 0.593 . . . . 73.22 111.011 176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -113.9 154.69 27.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.674 -1.148 . . . . 61.12 108.376 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HG2' ' HB2' ' A' ' 34' ' ' GLU . 36.2 mtm180 -113.55 121.96 45.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.023 0.374 . . . . 65.15 110.486 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.61 -155.81 26.64 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.775 -0.648 . . . . 65.22 111.483 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -69.53 137.83 52.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 110.03 -0.359 . . . . 53.31 110.03 177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.76 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -49.71 -36.06 24.06 Favored 'General case' 0 C--O 1.237 0.421 0 O-C-N 123.413 0.446 . . . . 70.24 111.147 -179.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.592 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 43.2 tt0 -61.15 -49.18 78.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.586 -0.734 . . . . 73.44 110.183 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.2 -42.85 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.101 -0.5 . . . . 72.3 110.385 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.8 m -57.79 -46.35 84.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.601 -0.727 . . . . 74.22 110.49 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 22.4 mmt180 -75.39 -26.23 58.29 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.143 -0.481 . . . . 75.22 111.591 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 97.3 mttt -60.58 -52.08 66.69 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 108.978 -0.749 . . . . 73.43 108.978 172.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.25 -43.0 87.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.306 -0.861 . . . . 75.25 110.432 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.86 -54.87 39.33 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.114 -0.494 . . . . 63.34 111.345 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 73.1 mm-40 -56.42 -55.19 36.7 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.906 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -55.52 -53.92 50.34 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.483 -0.78 . . . . 74.34 110.996 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.6 -43.65 98.28 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.001 -0.545 . . . . 63.43 110.848 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.7 t -64.04 -38.96 92.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.167 -0.47 . . . . 62.41 111.257 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -25.28 34.87 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.861 -0.336 . . . . 71.33 111.143 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -73.64 -45.33 53.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.753 0.311 . . . . 73.11 110.883 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.5 p -82.79 167.67 17.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 64.03 111.414 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.87 16.13 60.73 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.025 -0.83 . . . . 63.35 111.025 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.8 m -111.01 -179.86 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.766 0.427 . . . . 42.21 110.547 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.509 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 35.9 tt0 -113.63 99.49 7.77 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.766 -0.828 . . . . 63.43 108.766 176.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 6.1 p -126.75 127.58 70.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.021 -0.536 . . . . 42.45 110.643 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -116.68 160.28 20.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.213 -0.662 . . . . 64.15 109.213 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -123.03 150.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.029 0.443 . . . . 71.23 110.512 -176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -113.14 154.09 27.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.996 -1.113 . . . . 72.43 107.996 176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.76 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 7.0 t -115.05 114.27 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.952 0.406 . . . . 61.31 110.845 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.588 ' HB2' ' HG2' ' A' ' 8' ' ' ARG . 39.1 mm-40 -113.85 179.56 3.92 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 115.428 -0.805 . . . . 53.25 110.078 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.862 . . . . 62.21 109.083 172.557 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.78 0.324 . . . . 44.04 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -140.39 139.26 35.26 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.569 -0.53 . . . . 74.32 109.569 177.271 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -129.58 155.01 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.194 -0.298 . . . . 74.31 110.194 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -136.15 119.44 16.74 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.84 -0.43 . . . . 72.51 109.84 171.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -120.01 175.43 5.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.821 -0.437 . . . . 65.2 109.821 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -137.06 154.25 50.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.879 0.371 . . . . 75.44 110.748 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -140.77 162.16 36.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.878 -0.601 . . . . 74.33 110.675 -169.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -137.58 123.76 20.46 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.435 0.694 . . . . 71.54 109.326 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.48 0.21 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.074 -0.584 . . . . 54.34 112.584 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 p 179.8 158.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.665 0.386 . . . . 71.1 109.998 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HG3' ' N ' ' A' ' 12' ' ' GLU . 5.6 pt-20 -54.08 -42.19 69.06 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.086 0.241 . . . . 65.34 111.644 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.564 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 9.2 tp10 -61.64 -58.84 6.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.568 0.223 . . . . 75.15 111.114 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.62 -26.45 68.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.037 -0.265 . . . . 64.5 110.624 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.93 -40.88 87.73 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.142 0.496 . . . . 52.22 109.937 171.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -65.03 -40.81 95.39 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 115.738 -0.665 . . . . 75.13 110.197 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 25.6 mtpp -69.47 -37.32 77.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 72.34 110.24 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.27 -47.47 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.531 -0.544 . . . . 71.14 109.531 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.27 -39.8 95.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.476 177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.76 -60.52 3.57 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.764 -0.653 . . . . 74.41 110.254 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 17.9 mm-40 -57.32 -50.85 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.362 -0.835 . . . . 70.12 110.884 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD23 HG11 ' A' ' 29' ' ' VAL . 22.2 tp -58.1 -47.05 84.43 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.993 -0.548 . . . . 71.23 110.88 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -64.62 -48.01 76.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.787 -0.642 . . . . 61.1 110.892 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 8.8 ptm180 -72.99 -21.05 60.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.255 -0.43 . . . . 72.03 110.509 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -79.78 -46.52 16.83 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.436 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.9 p -88.36 162.15 16.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.23 0.538 . . . . 51.4 111.973 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.66 32.73 7.16 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.889 -0.884 . . . . 71.22 110.889 174.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 68.6 m -119.54 -167.89 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.469 . . . . 65.42 110.706 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 7.3 tp10 -113.29 120.79 42.37 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.175 -1.046 . . . . 65.23 108.175 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG11 HD23 ' A' ' 21' ' ' LEU . 95.3 t -114.17 138.66 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.372 0.606 . . . . 72.44 111.79 -172.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 9.2 tp10 -122.54 146.91 46.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.654 -1.239 . . . . 54.21 107.654 173.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 18' ' ' ALA . 5.4 p -144.74 145.81 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 71.02 111.181 -176.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -113.54 130.98 56.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.131 -0.94 . . . . 74.42 108.473 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -113.88 135.54 53.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.24 0.459 . . . . 71.02 112.24 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -113.45 150.06 33.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.868 -1.16 . . . . 74.42 107.868 167.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.249 1.059 0 N-CA-C 109.199 -0.667 . . . . 63.43 109.199 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.6 t . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.469 0.652 . . . . 44.42 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 10.5 mtmp? -99.31 117.19 33.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.381 -0.827 . . . . 72.21 109.151 169.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -113.93 158.95 20.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.519 0.199 . . . . 65.23 110.548 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.594 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 33.7 mtp-105 -133.91 119.96 19.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.238 -0.653 . . . . 73.2 109.238 172.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -120.44 152.61 37.72 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.188 -0.301 . . . . 73.15 110.188 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -113.67 136.0 53.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.78 -0.452 . . . . 71.52 109.78 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -133.19 146.85 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 64.21 109.331 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -113.66 119.85 38.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.858 -0.423 . . . . 75.11 109.858 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.61 -174.81 36.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.069 -0.586 . . . . 40.33 112.348 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.8 p -91.6 175.39 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.237 0.542 . . . . 74.13 112.035 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -44.97 -51.76 9.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.811 -1.086 . . . . 74.13 112.709 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -36.97 82.04 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 110.211 -0.292 . . . . 74.22 110.211 -175.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.32 -42.17 98.23 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.669 -0.493 . . . . 73.23 109.669 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.48 -44.75 96.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.404 -0.816 . . . . 71.14 110.565 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -61.35 -44.56 96.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.0 -0.545 . . . . 71.11 110.98 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.12 -60.5 3.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 73.41 110.664 178.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -55.18 -44.95 75.71 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.1 -0.5 . . . . 75.44 111.042 -177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.81 91.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 73.45 111.36 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.42 -45.54 87.1 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.397 -0.365 . . . . 75.51 110.637 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 16' ' ' LYS . 68.9 mm-40 -59.45 -49.93 75.91 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.344 0.592 . . . . 62.44 109.85 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.587 HD21 HG21 ' A' ' 29' ' ' VAL . 27.0 tp -58.56 -34.76 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.255 -0.884 . . . . 65.32 110.562 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -69.07 -46.49 67.68 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.086 -0.507 . . . . 65.11 110.715 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -73.84 -18.79 60.89 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.981 0.42 . . . . 63.53 110.587 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -81.29 -54.64 5.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 73.13 111.104 -176.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -113.22 112.65 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.037 -0.528 . . . . 75.21 110.764 -176.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.41 70.36 1.09 Allowed Glycine 0 C--N 1.332 0.342 0 CA-C-N 116.047 -0.524 . . . . 62.24 112.04 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 86.4 m -150.35 -162.04 1.47 Allowed 'General case' 0 C--O 1.241 0.607 0 C-N-CA 122.807 0.443 . . . . 73.44 109.996 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.2 tp10 -113.62 139.87 48.67 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.003 -0.74 . . . . 63.52 109.003 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.587 HG21 HD21 ' A' ' 21' ' ' LEU . 10.2 p -151.44 143.4 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.582 0.706 . . . . 71.24 111.881 -175.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 13.3 tp10 -113.35 134.52 54.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.849 -1.069 . . . . 75.24 108.232 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 139.44 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.721 -0.474 . . . . 74.13 109.721 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 143.6 44.08 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.425 -0.583 . . . . 63.45 109.425 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -115.22 116.58 28.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.659 0.266 . . . . 41.41 110.853 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -114.3 146.7 40.14 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.065 0.459 . . . . 64.23 110.725 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.321 -0.854 . . . . 74.14 109.038 178.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.451 0.167 . . . . 73.4 111.185 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -80.53 111.03 16.56 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.45 -0.574 . . . . 75.34 109.45 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.506 ' HB3' HG22 ' A' ' 29' ' ' VAL . 27.3 tt0 -132.29 149.03 52.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 71.15 110.643 -177.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' A' ' 30' ' ' GLU . 32.0 mtp180 -129.53 134.89 48.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.788 -0.642 . . . . 75.22 109.793 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -129.95 140.15 50.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.967 -0.561 . . . . 74.52 109.529 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 11.7 ptp180 -113.68 133.92 55.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.303 -0.629 . . . . 63.11 109.303 177.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 29.9 t80 -130.38 164.86 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.714 -0.676 . . . . 75.04 110.023 -170.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -121.17 114.07 20.9 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.95 -0.389 . . . . 73.34 109.95 174.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.91 -173.02 37.33 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.898 -0.668 . . . . 73.33 112.245 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -82.78 168.9 16.73 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 122.447 0.299 . . . . 73.14 111.179 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 9.6 pt-20 -57.92 -25.04 60.35 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.466 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -56.81 -54.06 50.71 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.339 -0.615 . . . . 75.55 109.339 172.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -60.08 -46.28 90.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.456 -0.793 . . . . 73.13 110.122 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 6.2 m -56.43 -59.65 4.66 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.724 -0.671 . . . . 51.42 111.224 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -69.73 -36.81 76.19 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.682 -0.69 . . . . 64.31 111.506 -173.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -67.9 -41.59 82.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.503 0.192 . . . . 73.25 110.669 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.23 -49.93 75.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 74.44 109.82 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.75 83.53 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.049 -0.523 . . . . 74.23 110.875 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -59.39 -54.74 43.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.822 -0.626 . . . . 65.34 111.216 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 46.7 mt-10 -63.3 -41.37 98.94 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.847 -0.615 . . . . 72.43 110.945 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD22 HG21 ' A' ' 29' ' ' VAL . 4.5 tt -62.14 -48.59 79.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 62.25 109.893 178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -65.29 -36.88 85.44 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.029 -0.532 . . . . 53.23 111.466 -176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 15.4 ptm180 -79.24 -26.51 42.45 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.026 -0.269 . . . . 70.53 110.619 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -74.34 -52.68 11.48 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 71.21 110.239 175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -120.65 124.93 46.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 72.14 110.543 -177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.3 79.39 0.91 Allowed Glycine 0 C--N 1.331 0.279 0 CA-C-N 116.101 -0.5 . . . . 64.31 112.868 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 1' ' ' CYS . 94.4 m -136.89 178.24 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.581 0.352 . . . . 73.42 110.273 177.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 2' ' ' LYS . 10.8 pm0 -113.27 100.33 8.48 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.927 0.87 . . . . 75.14 109.142 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' HB3' ' A' ' 3' ' ' GLN . 41.0 t -113.85 139.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.81 -1.086 . . . . 72.12 110.567 -173.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 4' ' ' ARG . 10.4 tp10 -113.77 135.62 53.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.677 -0.86 . . . . 74.41 108.677 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.93 120.01 62.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.843 0.354 . . . . 74.21 110.587 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 7.9 pt-20 -113.45 114.99 27.33 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.143 -0.688 . . . . 71.32 109.143 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 5.1 p -114.43 142.71 46.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.11 0.481 . . . . 65.24 111.685 -173.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -113.56 176.71 4.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.112 -0.949 . . . . 74.52 108.632 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.964 -1.017 . . . . 75.32 110.159 179.353 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 121.119 0.485 . . . . 53.03 110.254 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 40.0 ttmt -142.33 144.83 33.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.607 -0.724 . . . . 74.04 110.237 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -152.81 165.33 35.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.118 -0.492 . . . . 72.1 109.981 176.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -126.58 145.18 50.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.247 0.546 . . . . 55.15 110.72 173.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -135.92 153.06 51.56 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.594 -0.891 . . . . 73.21 108.594 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 17.0 ptt180 -113.4 128.09 56.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.48 0.657 . . . . 65.13 109.983 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.578 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 66.8 t80 -113.76 167.98 10.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.773 -1.103 . . . . 62.13 109.193 -172.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 14.0 ptt180 -133.67 125.11 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.627 -0.509 . . . . 72.42 109.627 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.63 -164.38 32.09 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.93 -0.577 . . . . 63.41 112.153 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.9 p -88.64 173.45 8.61 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.738 0.304 . . . . 74.3 111.57 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -47.61 -49.97 25.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.82 -0.627 . . . . 72.41 110.944 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.82 -64.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.272 -0.876 . . . . 61.52 110.972 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -51.08 -47.31 61.9 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.677 -0.692 . . . . 75.35 111.115 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.67 -59.49 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.345 -0.843 . . . . 74.12 111.828 -175.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -70.24 -36.26 74.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 74.43 111.257 -172.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 43.7 tttm -58.01 -51.42 69.74 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 120.93 0.395 . . . . 61.54 109.967 173.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.99 -43.13 77.36 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.644 -0.707 . . . . 75.21 110.367 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -60.45 3.79 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.911 -0.586 . . . . 65.34 111.907 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 8.2 pt-20 -61.26 -45.39 94.73 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 120.834 0.35 . . . . 74.52 111.341 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' LYS . 49.6 mt-10 -66.49 -44.25 83.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.288 -0.414 . . . . 61.44 110.671 -175.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.3 tt -59.57 -45.81 90.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.312 -0.625 . . . . 63.3 109.312 177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -55.48 -60.02 4.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.863 -0.608 . . . . 63.23 110.732 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 19' ' ' GLU . 7.0 ptp180 -66.23 -38.06 87.0 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.317 -0.402 . . . . 70.11 111.495 -175.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -43.16 86.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.755 0.312 . . . . 71.45 110.823 -176.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -78.11 -21.86 49.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.026 0.441 . . . . 72.03 110.946 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.64 25.87 73.0 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 111.074 -0.811 . . . . 61.05 111.074 -175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.7 m -129.07 -171.79 2.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.094 -0.553 . . . . 64.31 110.062 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 9.8 tp10 -113.61 132.75 55.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.387 -0.597 . . . . 70.13 109.387 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -128.07 136.54 59.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.348 0.594 . . . . 74.02 110.6 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 4' ' ' ARG . 41.8 tt0 -113.53 115.26 27.7 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.925 -1.139 . . . . 61.44 107.925 179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' SG ' ' A' ' 33' ' ' CYS . 61.1 t -113.58 124.26 70.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.124 0.487 . . . . 63.43 110.935 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 35.4 mt-10 -113.63 118.09 33.42 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.799 -1.186 . . . . 65.13 107.799 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.578 ' SG ' ' HB3' ' A' ' 7' ' ' TYR . 88.8 m -113.38 142.03 46.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 73.44 112.075 -168.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 31.4 mt-10 -131.05 -179.53 5.39 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.689 -1.142 . . . . 45.44 109.527 -174.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.6 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.514 -0.755 . . . . 64.33 109.78 175.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.758 0.789 . . . . 52.14 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -93.57 107.87 19.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.001 -1.454 . . . . 72.13 110.219 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 16.1 mm100 -115.78 127.95 55.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.532 0.682 . . . . 64.33 110.569 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.3 123.63 10.27 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.904 -1.044 . . . . 65.31 108.671 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -129.34 168.42 16.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.096 0.474 . . . . 74.44 111.399 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 34' ' ' GLU . 16.0 ptm180 -117.61 138.82 51.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.716 -0.674 . . . . 74.31 109.823 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 92.9 t80 -145.63 148.4 33.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.943 -0.762 . . . . 75.35 108.943 -178.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -113.64 132.38 55.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.983 -0.377 . . . . 72.33 109.983 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.86 -143.43 10.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.195 -0.526 . . . . 42.35 112.158 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m -103.45 149.58 24.68 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.911 0.386 . . . . 42.11 111.525 -176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.28 -44.6 53.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.563 -0.744 . . . . 75.45 111.573 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 4.0 tm-20 -52.37 -51.53 58.46 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 116.041 -0.527 . . . . 75.42 110.61 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -63.6 -38.6 91.75 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.801 -0.636 . . . . 73.54 110.73 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.1 m -56.34 -54.46 45.29 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.473 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -62.75 -40.76 98.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.72 -0.673 . . . . 72.1 111.234 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 2.2 mptm? -59.19 -50.83 72.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.834 0.349 . . . . 75.53 110.268 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -59.58 -39.0 82.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.895 -0.593 . . . . 65.54 110.311 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -67.18 -38.87 86.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.634 -0.712 . . . . 71.13 110.992 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.95 -43.23 75.44 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.407 -0.36 . . . . 50.15 110.145 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -58.85 -42.71 89.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 73.42 109.977 174.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -63.82 -41.53 97.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.564 . . . . 72.34 110.88 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.2 t -67.73 -42.68 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.614 -178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 4.1 ptm180 -76.14 -19.42 58.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.733 -0.469 . . . . 62.21 109.733 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -69.9 -62.26 1.45 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.732 -0.667 . . . . 75.41 110.232 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.8 m -124.58 125.69 44.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.704 -0.225 . . . . 72.13 110.553 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.43 65.71 2.02 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 116.433 -0.349 . . . . 55.3 112.991 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 65.8 m -112.46 -159.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.534 -0.543 . . . . 55.13 109.534 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -112.86 99.73 8.11 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.061 -1.459 . . . . 74.25 107.061 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 7.5 p -128.14 141.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.506 -0.77 . . . . 65.22 112.114 -166.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -148.78 168.45 22.92 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.323 -0.853 . . . . 71.13 110.933 170.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' A' ' 18' ' ' ALA . 7.1 p -137.17 146.1 28.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 114.484 -1.235 . . . . 73.22 108.732 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -112.58 158.81 19.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.128 -0.693 . . . . 72.14 109.128 -176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 8.9 m -113.43 131.0 56.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.208 0.528 . . . . 71.05 111.299 -168.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 6' ' ' ARG . 39.6 mt-10 -115.97 166.02 12.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 73.44 109.064 173.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.607 -0.711 . . . . 74.41 109.207 176.059 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 5.9 p . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.024 0.44 . . . . 73.22 110.526 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.761 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 10.4 mtmp? -118.19 144.97 45.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.725 -0.472 . . . . 71.44 109.725 177.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -151.39 148.69 28.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.699 0.285 . . . . 74.14 110.521 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.4 ptt180 -113.95 150.26 34.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.804 0.335 . . . . 64.11 110.589 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.9 mmm180 -141.22 168.34 20.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.714 -0.676 . . . . 75.13 109.263 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -140.01 135.03 32.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.956 0.407 . . . . 72.23 109.928 171.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -124.56 141.61 51.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.489 -0.778 . . . . 74.25 109.3 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -113.88 136.05 53.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.942 0.401 . . . . 74.32 110.84 -177.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.75 -82.46 0.18 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.493 -0.643 . . . . 32.04 111.493 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.3 m -156.36 151.18 26.03 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.94 -0.393 . . . . 52.54 109.94 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.742 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.9 pt-20 -52.65 -40.15 62.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 54.42 112.037 -176.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.85 -50.17 74.51 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.828 0.347 . . . . 71.11 110.074 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -58.07 -41.27 83.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.924 -0.58 . . . . 53.31 110.982 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.4 m -62.27 -45.21 94.32 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.973 -0.558 . . . . 41.3 110.455 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 35.5 mtp180 -61.39 -46.47 90.03 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.554 -0.748 . . . . 65.24 110.658 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -58.33 -46.07 86.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.772 -0.649 . . . . 71.43 110.267 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -57.1 -41.18 78.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.64 -0.709 . . . . 73.31 110.331 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.73 88.02 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.961 -0.563 . . . . 61.34 111.385 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 28.2 mm-40 -62.16 -51.73 66.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.072 -0.513 . . . . 75.24 110.099 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -54.43 -46.55 73.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.67 -0.696 . . . . 74.42 110.409 176.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -52.65 63.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.298 -0.41 . . . . 74.42 111.266 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.3 p -65.46 -41.57 93.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.985 -0.552 . . . . 71.22 112.01 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 3.1 ptp180 -75.69 -24.19 56.25 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.728 0.299 . . . . 72.43 110.963 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 12.1 tpt180 -72.92 -50.69 22.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.046 0.45 . . . . 65.31 110.073 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -119.31 122.56 42.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.651 -0.704 . . . . 72.02 110.527 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 80.96 0.08 OUTLIER Glycine 0 C--N 1.335 0.476 0 O-C-N 123.409 0.443 . . . . 64.24 112.456 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.0 m -153.66 -169.67 3.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 122.865 0.466 . . . . 70.02 109.858 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.761 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 8.2 tp10 -112.99 102.34 10.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.695 -0.854 . . . . 74.25 108.695 176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.1 t -113.68 125.94 71.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.875 -0.602 . . . . 70.23 109.965 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 42.8 tt0 -113.62 131.35 56.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.879 -0.6 . . . . 32.34 109.383 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 5' ' ' ARG . 98.5 t -114.12 146.7 18.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.222 0.534 . . . . 55.22 110.443 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.25 145.01 41.73 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.567 -1.272 . . . . 71.52 107.567 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.742 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 17.0 t -113.67 140.22 48.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.234 0.54 . . . . 41.24 112.164 -168.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.83 175.13 9.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.134 -0.939 . . . . 74.01 108.735 175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.453 -0.784 . . . . 60.15 110.419 -179.783 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 121.102 0.477 . . . . 65.43 110.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.627 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 59.4 mttp -131.41 137.79 48.81 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.586 -0.734 . . . . 73.41 110.218 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 53.2 mt-30 -146.3 135.21 22.47 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 35.13 110.473 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -121.48 136.05 54.99 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.902 -0.777 . . . . 73.0 108.902 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -136.7 146.99 46.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.26 0.552 . . . . 71.42 111.616 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -113.76 118.1 33.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.338 -0.986 . . . . 74.31 108.338 172.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -113.39 129.22 56.59 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.708 -0.479 . . . . 64.42 109.708 -173.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.598 ' HG3' ' HB2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -113.47 130.05 56.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.224 -0.444 . . . . 71.44 109.861 -178.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.4 -80.55 0.12 Allowed Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.947 -0.861 . . . . 71.5 110.947 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.518 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 39.5 m -159.17 164.71 34.91 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 110.012 -0.366 . . . . 74.44 110.012 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 16.9 mm-40 -53.13 -60.05 3.77 Favored 'General case' 0 N--CA 1.462 0.167 0 O-C-N 123.612 0.57 . . . . 75.11 111.511 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.37 -40.38 82.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.517 -0.31 . . . . 74.31 111.009 -175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' A' ' 10' ' ' SER . 10.7 mm-40 -58.6 -49.25 78.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 74.14 110.068 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.7 t -61.06 -49.58 76.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.177 -0.92 . . . . 35.21 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 96.8 mtt180 -61.97 -46.75 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 70.41 110.562 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.79 -39.72 89.94 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.145 -0.48 . . . . 64.54 110.819 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.51 -48.11 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.909 0.385 . . . . 72.3 110.148 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.43 -45.93 84.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.599 -0.728 . . . . 74.15 110.427 177.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 14.9 tp10 -59.46 -52.37 65.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 64.23 110.542 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -51.58 -54.02 32.0 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.133 -0.485 . . . . 61.35 110.766 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 29' ' ' VAL . 30.8 tp -62.59 -39.36 93.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 64.41 110.78 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -68.78 -44.89 72.7 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.079 -0.509 . . . . 53.42 111.092 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.77 -26.87 55.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.719 0.295 . . . . 73.12 111.078 -178.104 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 23' ' ' ARG . 45.3 ttp180 -77.81 -47.38 19.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.05 0.452 . . . . 74.23 110.524 -178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -126.67 112.99 16.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 71.43 110.528 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 74.04 0.45 Allowed Glycine 0 C--N 1.334 0.448 0 CA-C-N 115.99 -0.55 . . . . 72.54 112.334 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.9 m -120.18 -164.26 1.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.596 0.358 . . . . 64.13 110.419 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.627 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 7.8 tp10 -113.29 103.17 11.05 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.657 -0.868 . . . . 61.12 108.657 177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.643 HG21 HD23 ' A' ' 21' ' ' LEU . 7.3 p -118.41 145.33 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.153 -0.476 . . . . 72.54 111.851 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -133.13 119.3 19.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.433 -0.803 . . . . 62.42 109.102 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.06 143.96 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.956 -0.387 . . . . 60.13 109.956 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.58 148.18 36.65 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.117 -0.697 . . . . 72.1 109.117 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.6 m -113.5 119.12 36.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 65.13 110.414 -173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.598 ' HB2' ' HG3' ' A' ' 8' ' ' ARG . 41.5 mt-10 -130.84 179.82 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.729 -0.669 . . . . 62.32 110.195 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.756 -0.64 . . . . 43.21 109.553 177.557 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.477 0.899 0 CA-C-O 120.94 0.4 . . . . 65.52 111.108 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -115.67 130.14 56.75 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.135 -0.691 . . . . 71.43 109.135 171.616 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -113.95 150.89 33.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.039 0.447 . . . . 74.14 111.242 -171.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.475 ' HD2' ' HB3' ' A' ' 30' ' ' GLU . 12.3 mmm180 -127.48 113.52 16.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.584 -0.734 . . . . 70.21 109.161 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' VAL . 34.3 mmt180 -128.89 159.87 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.37 0.605 . . . . 73.13 111.105 -175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -132.31 141.81 49.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.65 -0.87 . . . . 74.24 108.65 172.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 13' ' ' GLU . 13.9 t80 -131.68 127.12 36.27 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.428 -0.582 . . . . 74.34 109.428 -177.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -113.61 130.26 56.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.759 0.314 . . . . 75.41 110.283 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.68 -61.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.172 -0.771 . . . . 64.33 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.8 p -175.88 171.77 2.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 110.206 -0.294 . . . . 42.13 110.206 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -56.65 -46.59 80.96 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 116.103 -0.498 . . . . 61.11 110.055 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -51.61 -59.39 4.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.837 -0.62 . . . . 64.44 110.061 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 7.8 mm-40 -57.06 -53.0 63.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.228 -0.896 . . . . 62.05 111.942 -177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.1 t -66.65 -48.88 68.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.803 0.335 . . . . 72.45 111.751 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -66.5 -38.06 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 70.11 111.021 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -64.39 -45.51 87.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.743 0.306 . . . . 71.13 110.256 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -55.0 -46.98 75.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.947 -0.569 . . . . 74.34 110.377 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.46 81.23 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.035 -0.53 . . . . 62.1 111.364 -178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -57.64 11.93 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-O 121.452 0.644 . . . . 52.03 109.638 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.32 -40.47 77.98 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.335 -0.848 . . . . 65.45 110.582 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.716 ' HB3' HG11 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -57.8 -54.34 47.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.866 0.365 . . . . 73.13 110.428 179.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -60.29 -45.0 94.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 42.04 111.276 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -79.99 -40.36 28.1 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.108 0.411 . . . . 64.54 112.108 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -82.38 -46.3 13.73 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.899 0.38 . . . . 63.44 111.644 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.1 m -75.83 126.59 31.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.315 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 27' ' ' CYS . . . -77.51 62.37 3.48 Favored Glycine 0 C--N 1.333 0.369 0 N-CA-C 111.833 -0.507 . . . . 51.13 111.833 177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 26' ' ' GLY . 57.0 m -164.98 -169.07 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.478 0.711 . . . . 75.32 109.379 -178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 47.5 tt0 -113.28 141.54 46.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.486 -0.931 . . . . 72.34 108.486 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.716 HG11 ' HB3' ' A' ' 21' ' ' LEU . 10.1 p -146.12 148.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.923 0.392 . . . . 61.34 111.282 -173.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' ' HD2' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -131.67 138.83 48.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.65 -1.241 . . . . 72.54 107.65 175.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ARG . 61.8 t -135.27 145.69 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.76 0.314 . . . . 74.14 111.346 -171.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -113.22 148.63 35.1 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.98 -0.555 . . . . 72.51 110.093 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.0 m -114.08 123.59 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 61.12 111.231 -174.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.47 168.65 16.03 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.448 -0.575 . . . . 75.35 109.448 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.909 -0.567 . . . . 64.22 110.362 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 121.233 0.54 . . . . 75.54 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 93.0 mttt -114.52 133.53 55.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.032 -0.729 . . . . 74.41 109.032 174.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -133.81 146.82 51.01 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.95 0.405 . . . . 73.34 111.574 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 30' ' ' GLU . 21.1 mmt180 -117.75 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.614 -0.721 . . . . 70.03 109.644 173.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.539 ' HB2' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -118.87 164.8 14.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.558 -0.292 . . . . 50.12 110.567 -179.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -113.68 133.3 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.184 0.516 . . . . 72.12 110.453 173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CD1' ' SG ' ' A' ' 14' ' ' CYS . 29.7 t80 -131.88 130.14 41.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.966 -1.124 . . . . 72.33 107.966 175.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 34' ' ' GLU . 29.3 ptt180 -113.55 134.96 54.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.837 0.351 . . . . 73.14 110.198 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.15 -131.21 5.6 Favored Glycine 0 CA--C 1.518 0.226 0 CA-C-N 115.894 -0.593 . . . . 23.21 112.088 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.465 ' HB2' ' HG2' ' A' ' 13' ' ' GLU . 16.3 m -84.67 131.81 34.54 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 120.787 0.327 . . . . 51.34 110.965 -177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.937 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 11.7 pt-20 -64.2 -28.61 69.87 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.427 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.32 -48.43 78.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 109.527 -0.545 . . . . 64.24 109.527 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.542 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 65.7 mm-40 -64.95 -40.85 95.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.342 -0.845 . . . . 72.12 110.434 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 7' ' ' TYR . 64.0 m -57.05 -43.78 82.36 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.828 -0.624 . . . . 60.23 110.717 178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -67.49 -46.52 72.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.274 -0.421 . . . . 73.31 110.647 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD3' ' HA ' ' A' ' 13' ' ' GLU . 54.5 mtpt -53.06 -52.0 59.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.985 -0.552 . . . . 71.23 110.618 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.42 -49.51 76.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.095 -0.957 . . . . 65.01 111.317 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -54.14 -51.11 65.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.092 0.472 . . . . 75.44 111.145 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -64.02 -50.27 69.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.772 -0.649 . . . . 73.23 111.242 -175.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HA ' ' HE ' ' A' ' 23' ' ' ARG . 12.2 pt-20 -61.26 -49.35 77.44 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.735 0.302 . . . . 74.43 110.559 -176.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 45.0 tp -60.69 -37.42 81.56 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.045 -0.525 . . . . 63.34 110.217 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -58.38 -57.78 11.4 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.813 -0.63 . . . . 74.1 110.381 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 5.9 ppt_? -73.84 -19.24 60.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.807 0.336 . . . . 71.54 111.325 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -70.89 -52.65 18.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.212 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 p -75.35 -42.09 55.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 70.42 111.271 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.09 -15.9 59.95 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 111.375 -0.69 . . . . 74.53 111.375 -175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 67.1 m -83.84 -164.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.65 0.38 . . . . 34.45 110.012 176.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HB3' ' HG2' ' A' ' 2' ' ' LYS . 13.4 tp10 -113.67 127.24 55.97 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.545 -0.539 . . . . 52.24 109.545 175.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 21' ' ' LEU . 6.8 p -151.16 124.09 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.822 -0.626 . . . . 62.04 109.972 -178.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB3' ' NH1' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -125.9 147.71 49.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.606 -0.887 . . . . 74.45 108.606 179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.539 HG12 ' HB2' ' A' ' 5' ' ' ARG . 7.0 m -113.89 165.43 8.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.239 0.542 . . . . 70.34 109.842 -175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.49 143.0 45.25 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.114 -1.069 . . . . 65.12 108.114 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.937 ' SG ' ' HA ' ' A' ' 11' ' ' GLU . 5.5 t -113.31 110.42 20.33 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.352 -0.61 . . . . 60.31 109.352 -173.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 26.6 mt-10 -137.82 -178.93 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.549 -0.751 . . . . 70.24 110.378 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.33 -0.843 . . . . 72.52 109.477 171.626 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.22 0.533 . . . . 75.42 110.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 95.6 mttt -125.1 123.98 40.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.533 -0.758 . . . . 72.3 109.687 177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -114.59 163.95 14.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 72.32 110.169 -176.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 6.1 ptp180 -137.48 133.71 34.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.02 -0.733 . . . . 72.01 109.02 176.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.602 ' HD3' HD11 ' A' ' 21' ' ' LEU . 67.2 mtp85 -147.66 177.11 9.55 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.69 0.281 . . . . 73.01 111.007 -175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' H ' ' HD2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -131.75 152.8 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 64.14 110.722 -177.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.474 ' HE1' ' HB3' ' A' ' 13' ' ' GLU . 24.1 t80 -153.55 171.71 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.487 -0.931 . . . . 72.24 108.487 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -141.13 135.7 31.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.426 -0.213 . . . . 73.3 110.426 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.78 -152.82 24.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.049 -0.595 . . . . 75.02 112.669 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -101.62 179.33 4.37 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.068 0.461 . . . . 64.41 111.416 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.47 -43.15 75.24 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.368 -0.833 . . . . 73.33 111.774 -175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.07 -48.68 77.98 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.193 0.52 . . . . 64.13 110.105 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 36.7 mt-10 -66.27 -41.36 89.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.005 -0.998 . . . . 74.43 110.636 -175.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.92 -52.12 66.78 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.063 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -60.36 -58.6 7.82 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.06 -0.518 . . . . 65.44 110.722 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -48.17 -53.12 17.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.415 -0.811 . . . . 75.41 111.289 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 84.4 t80 -57.2 -53.68 55.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 74.01 111.11 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.16 80.84 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.032 -0.531 . . . . 74.31 111.904 -176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.32 -48.98 75.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.324 -0.398 . . . . 45.43 110.648 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -59.91 -41.15 91.08 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-O 120.86 0.362 . . . . 74.44 110.391 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD11 ' HD3' ' A' ' 5' ' ' ARG . 3.8 tt -57.74 -50.77 72.11 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.821 -0.627 . . . . 74.02 109.975 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' OG ' HG12 ' A' ' 29' ' ' VAL . 19.2 m -60.83 -56.56 19.77 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.957 -0.565 . . . . 44.13 111.307 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -65.99 -25.44 67.09 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.992 -0.549 . . . . 73.13 111.695 -174.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -80.17 -58.55 3.09 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.003 0.43 . . . . 71.14 110.776 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.3 m -66.04 -21.05 66.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.786 -0.643 . . . . 73.23 111.44 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.06 47.25 24.95 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 110.749 -0.94 . . . . 71.11 110.749 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.7 m -150.87 -175.44 5.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.056 -0.572 . . . . 61.43 110.551 -175.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 11.7 tp10 -113.49 140.73 47.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.852 -1.166 . . . . 74.55 107.852 171.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OG ' ' A' ' 22' ' ' SER . 11.7 p -141.92 142.33 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.266 0.555 . . . . 74.25 111.49 -175.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 2.7 mt-10 -113.79 120.83 42.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.803 -0.814 . . . . 65.11 108.803 173.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 p -116.84 144.87 23.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.664 -0.698 . . . . 65.25 109.537 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -112.93 142.22 45.85 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.164 -0.68 . . . . 71.34 109.164 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.0 m -113.49 135.39 53.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.311 0.577 . . . . 73.01 111.357 -172.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -119.89 174.17 6.61 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.867 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.565 -0.731 . . . . 73.41 109.577 -178.14 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.493 0.663 . . . . 45.33 110.273 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 2.3 tmmm? -120.21 110.65 16.85 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.11 -1.07 . . . . 74.2 108.11 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 24.1 tt0 -128.95 161.28 30.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.363 -0.38 . . . . 71.55 110.424 -172.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.6 ttp180 -135.73 144.76 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.671 0.272 . . . . 64.44 110.482 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -136.54 174.3 10.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.097 -0.501 . . . . 64.43 110.339 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -129.51 125.62 36.77 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.03 -0.359 . . . . 71.52 110.03 175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -113.82 158.55 20.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.619 -0.882 . . . . 73.4 108.619 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -113.62 124.71 52.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.954 0.407 . . . . 73.43 110.251 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.34 -141.01 7.98 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 116.008 -0.542 . . . . 62.44 111.953 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -108.35 169.56 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.218 -0.29 . . . . 63.14 110.218 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -36.35 83.79 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.452 -0.34 . . . . 71.44 111.143 -174.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -54.93 -51.55 65.74 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.478 0.656 . . . . 74.45 110.13 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.51 -39.12 92.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.27 -0.877 . . . . 62.21 110.414 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.76 -46.52 88.9 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.501 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -64.57 -54.31 34.07 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.0 -0.545 . . . . 75.51 110.959 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -56.57 -46.12 80.94 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 120.718 0.294 . . . . 51.25 110.619 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -57.21 -48.58 78.44 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.846 -0.615 . . . . 73.41 110.788 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.79 89.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.392 -0.367 . . . . 64.52 111.256 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -64.25 -51.8 61.83 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.246 0.546 . . . . 71.24 109.62 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 23' ' ' ARG . 47.8 mt-10 -62.99 -40.38 97.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 73.23 110.613 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.65 -44.29 97.25 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.774 -0.648 . . . . 63.33 110.202 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.5 t -63.68 -51.67 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 65.34 110.716 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 13.6 ptp180 -66.78 -30.63 70.89 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.651 0.262 . . . . 72.34 110.86 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.25 -49.46 64.32 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.853 0.358 . . . . 72.33 110.093 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.4 p -74.19 -29.15 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 61.54 110.697 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.09 18.38 79.44 Favored Glycine 0 C--N 1.335 0.5 0 CA-C-N 115.962 -0.563 . . . . 60.11 111.887 -177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 73.0 m -127.48 -159.11 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.617 0.367 . . . . 72.33 110.018 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 36.4 tt0 -113.69 113.82 25.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.083 0.468 . . . . 73.2 110.22 -177.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 43.4 t -127.08 137.36 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.904 -0.589 . . . . 65.35 110.522 -178.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' ARG . 46.7 tt0 -113.73 152.56 30.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.871 -0.789 . . . . 73.24 108.871 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.76 148.06 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.888 0.375 . . . . 72.03 110.359 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.89 163.61 14.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.79 -0.818 . . . . 62.31 108.79 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.38 125.77 54.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.166 0.508 . . . . 73.34 110.953 -174.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -113.97 164.44 13.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 74.13 109.332 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.937 -0.554 . . . . 63.22 110.47 178.044 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 25.7 t . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.047 0.451 . . . . 52.32 110.455 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -112.74 128.44 56.42 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.426 -0.583 . . . . 71.34 109.426 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -122.98 130.41 52.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.171 0.51 . . . . 73.0 110.034 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -115.84 117.89 31.46 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.318 -0.993 . . . . 72.25 108.318 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HB2' HG22 ' A' ' 31' ' ' VAL . 35.1 mmt180 -113.39 138.29 50.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 72.41 111.193 -170.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -113.75 103.27 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.384 -0.969 . . . . 65.21 108.384 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 69.7 t80 -113.59 148.46 36.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.165 -173.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -117.82 112.26 20.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 73.34 109.974 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.3 179.39 43.13 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.686 -0.688 . . . . 22.54 111.389 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -83.39 171.04 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.582 0.23 . . . . 73.44 110.991 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -46.82 -41.66 15.92 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.778 -0.646 . . . . 74.02 112.019 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.95 -52.4 56.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.641 -0.254 . . . . 63.3 110.569 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.6 -42.14 70.76 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.956 0.408 . . . . 72.12 110.345 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.9 m -56.74 -54.16 49.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.666 -0.697 . . . . 73.42 110.768 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -60.6 -44.68 95.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.448 -0.342 . . . . 75.42 111.294 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -61.94 -59.53 4.97 Favored 'General case' 0 N--CA 1.422 -1.833 0 C-N-CA 123.695 0.798 . . . . 72.04 110.918 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.06 -47.6 85.21 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.403 -0.817 . . . . 72.35 110.925 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.7 87.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.975 -0.557 . . . . 63.31 111.421 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.87 -46.15 69.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.494 -0.321 . . . . 65.0 110.705 -176.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -55.04 -47.56 74.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.942 0.401 . . . . 74.43 110.753 176.408 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.91 -50.21 71.76 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.026 -0.534 . . . . 72.31 110.24 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -64.92 -34.19 77.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.939 -0.573 . . . . 74.33 111.306 -175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 20' ' ' GLU . 6.5 ptm180 -82.07 -25.09 34.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.072 0.463 . . . . 74.33 109.922 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -67.48 -48.57 66.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.77 -0.65 . . . . 74.42 110.502 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.9 m -111.76 117.73 33.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.05 -0.523 . . . . 70.11 111.217 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.89 77.85 0.15 Allowed Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.129 -0.487 . . . . 13.34 111.977 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 1' ' ' CYS . 1.7 m -151.23 -165.54 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.886 0.474 . . . . 45.04 110.201 -177.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -113.35 110.86 21.03 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.212 -0.662 . . . . 72.23 109.212 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.21 126.7 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.026 -0.534 . . . . 63.4 110.902 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -114.45 122.81 47.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.071 -0.714 . . . . 75.23 109.071 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 5' ' ' ARG . 57.2 t -116.69 133.91 61.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.779 0.323 . . . . 75.5 111.011 -176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.2 156.91 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.024 -0.732 . . . . 63.21 109.024 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 62.7 m -126.17 138.24 53.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.101 0.477 . . . . 74.45 112.031 -172.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -133.37 -179.81 5.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.669 -0.864 . . . . 74.14 108.669 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.73 -0.652 . . . . 74.23 110.629 -178.586 . . . . . . . . 0 0 . 1 stop_ save_